5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate

C165H223N3O24 — CID 159064441

IUPAC5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OC)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OC/C=C(\C)CCC=C(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OCCc2ccccc2)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCC(C)(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCCC(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCc2ccccc2)=C(CCCCC)C(=O)C1=O
InChIInChI=1S/C32H44O5.C30H36O5.C28H35NO3.2C26H39NO3.C23H30O5/c1-8-9-10-14-25-28(32(36)37-18-17-22(6)13-11-12-20(2)3)30(34)27(31(35)29(25)33)26-19-23(7)15-16-24(26)21(4)5;1-5-6-8-13-23-26(30(34)35-17-16-21-11-9-7-10-12-21)28(32)25(29(33)27(23)31)24-18-20(4)14-15-22(24)19(2)3;1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3;1-8-9-10-11-19-22(27-15-26(5,6)7)24(29)21(25(30)23(19)28)20-14-17(4)12-13-18(20)16(2)3;1-7-8-9-10-20-23(27-14-13-16(2)3)25(29)22(26(30)24(20)28)21-15-18(6)11-12-19(21)17(4)5;1-6-7-8-9-16-19(23(27)28-5)21(25)18(22(26)20(16)24)17-12-14(4)10-11-15(17)13(2)3/h12,17,19,24,26,34H,4,8-11,13-16,18H2,1-3,5-7H3;7,9-12,18,22,24,32H,2,5-6,8,13-17H2,1,3-4H3;7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17H2,1,3-4H3;14,18,20,27,29H,2,8-13,15H2,1,3-7H3;15-16,19,21,27,29H,4,7-14H2,1-3,5-6H3;12,15,17,25H,2,6-11H2,1,3-5H3/b22-17+;;;;;/t24-,26+;22-,24+;21-,23+;18-,20+;19-,21+;15-,17+/m000000/s1
InChIKeyAASPSUDUWHJESO-RTBUPOQLSA-N
MW2632.60 g/mol
LogP36.38
Rot. Bonds56

About 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate

5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate (PubChem CID 159064441) has the molecular formula C165H223N3O24 and a molecular weight of 2632.60 g/mol. Its IUPAC name is 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate.

Molecular Properties

Compound Name5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate
PubChem CID159064441
Molecular FormulaC165H223N3O24
Molecular Weight2632.60 g/mol
Exact Mass2630.63
IUPAC Name5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OC)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OC/C=C(\C)CCC=C(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OCCc2ccccc2)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCC(C)(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCCC(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCc2ccccc2)=C(CCCCC)C(=O)C1=O
InChIInChI=1S/C32H44O5.C30H36O5.C28H35NO3.2C26H39NO3.C23H30O5/c1-8-9-10-14-25-28(32(36)37-18-17-22(6)13-11-12-20(2)3)30(34)27(31(35)29(25)33)26-19-23(7)15-16-24(26)21(4)5;1-5-6-8-13-23-26(30(34)35-17-16-21-11-9-7-10-12-21)28(32)25(29(33)27(23)31)24-18-20(4)14-15-22(24)19(2)3;1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3;1-8-9-10-11-19-22(27-15-26(5,6)7)24(29)21(25(30)23(19)28)20-14-17(4)12-13-18(20)16(2)3;1-7-8-9-10-20-23(27-14-13-16(2)3)25(29)22(26(30)24(20)28)21-15-18(6)11-12-19(21)17(4)5;1-6-7-8-9-16-19(23(27)28-5)21(25)18(22(26)20(16)24)17-12-14(4)10-11-15(17)13(2)3/h12,17,19,24,26,34H,4,8-11,13-16,18H2,1-3,5-7H3;7,9-12,18,22,24,32H,2,5-6,8,13-17H2,1,3-4H3;7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17H2,1,3-4H3;14,18,20,27,29H,2,8-13,15H2,1,3-7H3;15-16,19,21,27,29H,4,7-14H2,1-3,5-6H3;12,15,17,25H,2,6-11H2,1,3-5H3/b22-17+;;;;;/t24-,26+;22-,24+;21-,23+;18-,20+;19-,21+;15-,17+/m000000/s1
InChIKeyAASPSUDUWHJESO-RTBUPOQLSA-N
XLogP36.38
TPSA441.21 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds56
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002632.60
LogP ≤ 536.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

Analyze 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate
CID 118465234
4-hydroxy-5-(3-methylbutylamino)-3-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione
CID 135244474
5-(benzylamino)-4-hydroxy-3-[(1R,5R)-3-methyl-5-prop-1-en-2-ylcyclopent-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione
CID 168900312
4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(2-methylpropylamino)-6-pentylcyclohexa-3,5-diene-1,2-dione
CID 118465242
4-hydroxy-3-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(2-methylpropylamino)-6-pentylcyclohexa-3,5-diene-1,2-dione
CID 126581927
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(2,2-dimethylpropylamino)-4-hydroxy-6-pentylcyclohexa-3,5-diene-1,2-dione
CID 118338861
(1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) 6-hydroxy-5-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate
CID 126581868
3,7-dimethylocta-2,6-dienyl 2,4,5-trihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-[(E)-pent-1-enyl]benzoate
CID 123400048
5-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
CID 154171045
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-6-pentyl-5-(2-phenylethyl)cyclohexa-3,5-diene-1,2-dione
CID 153143290
2-[2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,6-dioxo-5-pentylcyclohexa-1,4-dien-1-yl]oxyacetic acid
CID 25007290
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylbenzene-1,3-diol
CID 155405630

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate?
The IUPAC name of 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate (CID 159064441) is 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate.
What is the SMILES notation for 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate?
The canonical SMILES for 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate is C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OC)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OC/C=C(\C)CCC=C(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(C(=O)OCCc2ccccc2)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCC(C)(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCCC(C)C)=C(CCCCC)C(=O)C1=O.C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(NCc2ccccc2)=C(CCCCC)C(=O)C1=O.
What is the InChIKey of 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate?
The InChIKey is AASPSUDUWHJESO-RTBUPOQLSA-N. The full InChI is InChI=1S/C32H44O5.C30H36O5.C28H35NO3.2C26H39NO3.C23H30O5/c1-8-9-10-14-25-28(32(36)37-18-17-22(6)13-11-12-20(2)3)30(34)27(31(35)29(25)33)26-19-23(7)15-16-24(26)21(4)5;1-5-6-8-13-23-26(30(34)35-17-16-21-11-9-7-10-12-21)28(32)25(29(33)27(23)31)24-18-20(4)14-15-22(24)19(2)3;1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3;1-8-9-10-11-19-22(27-15-26(5,6)7)24(29)21(25(30)23(19)28)20-14-17(4)12-13-18(20)16(2)3;1-7-8-9-10-20-23(27-14-13-16(2)3)25(29)22(26(30)24(20)28)21-15-18(6)11-12-19(21)17(4)5;1-6-7-8-9-16-19(23(27)28-5)21(25)18(22(26)20(16)24)17-12-14(4)10-11-15(17)13(2)3/h12,17,19,24,26,34H,4,8-11,13-16,18H2,1-3,5-7H3;7,9-12,18,22,24,32H,2,5-6,8,13-17H2,1,3-4H3;7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17H2,1,3-4H3;14,18,20,27,29H,2,8-13,15H2,1,3-7H3;15-16,19,21,27,29H,4,7-14H2,1-3,5-6H3;12,15,17,25H,2,6-11H2,1,3-5H3/b22-17+;;;;;/t24-,26+;22-,24+;21-,23+;18-,20+;19-,21+;15-,17+/m000000/s1.
What are the key properties of 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate?
5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate has a molecular weight of 2632.60 g/mol, XLogP of 36.38, 56 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;[(2E)-3,7-dimethylocta-2,6-dienyl] 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;5-(2,2-dimethylpropylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;4-hydroxy-5-(3-methylbutylamino)-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione;methyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate;2-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate is sourced from PubChem (CID 159064441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).