11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one

C192H248N12O24 — CID 159228166

IUPAC11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one
SMILESC/C=C/CN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2N(C(C)(C)C)c2c(O)cc(O)cc21.CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2N(C=C(C)C)c2c(O)cc(O)cc21.CCC(C)CN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CCCCN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CCCN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21
InChIInChI=1S/C33H44N2O4.C32H42N2O4.C32H40N2O4.C32H42N2O4.C32H40N2O4.C31H40N2O4/c1-7-23(4)21-35-31-27(15-10-16-29(31)37)33(39)34(28-19-26(36)20-30(38)32(28)35)18-17-25(6)14-9-13-24(5)12-8-11-22(2)3;1-21(2)11-8-12-22(3)13-9-14-23(4)17-18-33-26-19-24(35)20-28(37)30(26)34(32(5,6)7)29-25(31(33)38)15-10-16-27(29)36;1-21(2)10-7-11-23(5)12-8-13-24(6)16-17-33-27-18-25(35)19-29(37)31(27)34(20-22(3)4)30-26(32(33)38)14-9-15-28(30)36;2*1-6-7-18-34-30-26(15-10-16-28(30)36)32(38)33(27-20-25(35)21-29(37)31(27)34)19-17-24(5)14-9-13-23(4)12-8-11-22(2)3;1-6-17-33-29-25(14-9-15-27(29)35)31(37)32(26-19-24(34)20-28(36)30(26)33)18-16-23(5)13-8-12-22(4)11-7-10-21(2)3/h10-11,13,15-17,19-20,23,36-38H,7-9,12,14,18,21H2,1-6H3;10-11,13,15-17,19-20,35-37H,8-9,12,14,18H2,1-7H3;9-10,12,14-16,18-20,35-37H,7-8,11,13,17H2,1-6H3;10-11,13,15-17,20-21,35-37H,6-9,12,14,18-19H2,1-5H3;6-7,10-11,13,15-17,20-21,35-37H,8-9,12,14,18-19H2,1-5H3;9-10,12,14-16,19-20,34-36H,6-8,11,13,17-18H2,1-5H3/b24-13+,25-17+;22-13+,23-17+;23-12+,24-16+;23-13+,24-17+;7-6+,23-13+,24-17+;22-12+,23-16+
InChIKeyKSNZXXVPPKXGCA-AFFNNCTMSA-N
MW3108.16 g/mol
LogP48.48
Rot. Bonds59

About 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one

11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one (PubChem CID 159228166) has the molecular formula C192H248N12O24 and a molecular weight of 3108.16 g/mol. Its IUPAC name is 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one
PubChem CID159228166
Molecular FormulaC192H248N12O24
Molecular Weight3108.16 g/mol
Exact Mass3105.86
IUPAC Name11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one
SMILESC/C=C/CN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2N(C(C)(C)C)c2c(O)cc(O)cc21.CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2N(C=C(C)C)c2c(O)cc(O)cc21.CCC(C)CN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CCCCN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CCCN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21
InChIInChI=1S/C33H44N2O4.C32H42N2O4.C32H40N2O4.C32H42N2O4.C32H40N2O4.C31H40N2O4/c1-7-23(4)21-35-31-27(15-10-16-29(31)37)33(39)34(28-19-26(36)20-30(38)32(28)35)18-17-25(6)14-9-13-24(5)12-8-11-22(2)3;1-21(2)11-8-12-22(3)13-9-14-23(4)17-18-33-26-19-24(35)20-28(37)30(26)34(32(5,6)7)29-25(31(33)38)15-10-16-27(29)36;1-21(2)10-7-11-23(5)12-8-13-24(6)16-17-33-27-18-25(35)19-29(37)31(27)34(20-22(3)4)30-26(32(33)38)14-9-15-28(30)36;2*1-6-7-18-34-30-26(15-10-16-28(30)36)32(38)33(27-20-25(35)21-29(37)31(27)34)19-17-24(5)14-9-13-23(4)12-8-11-22(2)3;1-6-17-33-29-25(14-9-15-27(29)35)31(37)32(26-19-24(34)20-28(36)30(26)33)18-16-23(5)13-8-12-22(4)11-7-10-21(2)3/h10-11,13,15-17,19-20,23,36-38H,7-9,12,14,18,21H2,1-6H3;10-11,13,15-17,19-20,35-37H,8-9,12,14,18H2,1-7H3;9-10,12,14-16,18-20,35-37H,7-8,11,13,17H2,1-6H3;10-11,13,15-17,20-21,35-37H,6-9,12,14,18-19H2,1-5H3;6-7,10-11,13,15-17,20-21,35-37H,8-9,12,14,18-19H2,1-5H3;9-10,12,14-16,19-20,34-36H,6-8,11,13,17-18H2,1-5H3/b24-13+,25-17+;22-13+,23-17+;23-12+,24-16+;23-13+,24-17+;7-6+,23-13+,24-17+;22-12+,23-16+
InChIKeyKSNZXXVPPKXGCA-AFFNNCTMSA-N
XLogP48.48
TPSA505.44 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds59
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003108.16
LogP ≤ 548.48
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one (CID 159228166) is 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one is C/C=C/CN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2N(C(C)(C)C)c2c(O)cc(O)cc21.CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2N(C=C(C)C)c2c(O)cc(O)cc21.CCC(C)CN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CCCCN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.CCCN1c2c(O)cccc2C(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2cc(O)cc(O)c21.
What is the InChIKey of 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one?
The InChIKey is KSNZXXVPPKXGCA-AFFNNCTMSA-N. The full InChI is InChI=1S/C33H44N2O4.C32H42N2O4.C32H40N2O4.C32H42N2O4.C32H40N2O4.C31H40N2O4/c1-7-23(4)21-35-31-27(15-10-16-29(31)37)33(39)34(28-19-26(36)20-30(38)32(28)35)18-17-25(6)14-9-13-24(5)12-8-11-22(2)3;1-21(2)11-8-12-22(3)13-9-14-23(4)17-18-33-26-19-24(35)20-28(37)30(26)34(32(5,6)7)29-25(31(33)38)15-10-16-27(29)36;1-21(2)10-7-11-23(5)12-8-13-24(6)16-17-33-27-18-25(35)19-29(37)31(27)34(20-22(3)4)30-26(32(33)38)14-9-15-28(30)36;2*1-6-7-18-34-30-26(15-10-16-28(30)36)32(38)33(27-20-25(35)21-29(37)31(27)34)19-17-24(5)14-9-13-23(4)12-8-11-22(2)3;1-6-17-33-29-25(14-9-15-27(29)35)31(37)32(26-19-24(34)20-28(36)30(26)33)18-16-23(5)13-8-12-22(4)11-7-10-21(2)3/h10-11,13,15-17,19-20,23,36-38H,7-9,12,14,18,21H2,1-6H3;10-11,13,15-17,19-20,35-37H,8-9,12,14,18H2,1-7H3;9-10,12,14-16,18-20,35-37H,7-8,11,13,17H2,1-6H3;10-11,13,15-17,20-21,35-37H,6-9,12,14,18-19H2,1-5H3;6-7,10-11,13,15-17,20-21,35-37H,8-9,12,14,18-19H2,1-5H3;9-10,12,14-16,19-20,34-36H,6-8,11,13,17-18H2,1-5H3/b24-13+,25-17+;22-13+,23-17+;23-12+,24-16+;23-13+,24-17+;7-6+,23-13+,24-17+;22-12+,23-16+.
What are the key properties of 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one?
11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one has a molecular weight of 3108.16 g/mol, XLogP of 48.48, 59 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(E)-but-2-enyl]-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;11-tert-butyl-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylbutyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-(2-methylprop-1-enyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one;1,3,10-trihydroxy-11-propyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 159228166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).