(2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone

C77H88O11 — CID 159820922

IUPAC(2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone
SMILESCC(C)=CC[C@@H]1C(C)=CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1c(O)cc(C)cc1O.CC(C)=CC[C@@H]1C(C)=C[C@@H](c2ccccc2)C[C@@H]1C(=O)c1c(O)cc(O)cc1O.COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@@H](c2ccccc2)CC=C(C)[C@@H]1CC=C(C)C
InChIInChI=1S/C26H30O4.C26H30O3.C25H28O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(28)14-19(27)15-23(25)30-4;1-16(2)10-12-20-18(4)11-13-21(19-8-6-5-7-9-19)24(20)26(29)25-22(27)14-17(3)15-23(25)28;1-15(2)9-10-20-16(3)11-18(17-7-5-4-6-8-17)12-21(20)25(29)24-22(27)13-19(26)14-23(24)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3;5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3;4-9,11,13-14,18,20-21,26-28H,10,12H2,1-3H3/t2*20-,21+,24-;18-,20-,21+/m011/s1
InChIKeyNMFLPHGZJHIVBR-VUQPUPSJSA-N
MW1189.54 g/mol
LogP18.03
Rot. Bonds16

About (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone

(2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone (PubChem CID 159820922) has the molecular formula C77H88O11 and a molecular weight of 1189.54 g/mol. Its IUPAC name is (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone
PubChem CID159820922
Molecular FormulaC77H88O11
Molecular Weight1189.54 g/mol
Exact Mass1188.63
IUPAC Name(2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone
SMILESCC(C)=CC[C@@H]1C(C)=CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1c(O)cc(C)cc1O.CC(C)=CC[C@@H]1C(C)=C[C@@H](c2ccccc2)C[C@@H]1C(=O)c1c(O)cc(O)cc1O.COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@@H](c2ccccc2)CC=C(C)[C@@H]1CC=C(C)C
InChIInChI=1S/C26H30O4.C26H30O3.C25H28O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(28)14-19(27)15-23(25)30-4;1-16(2)10-12-20-18(4)11-13-21(19-8-6-5-7-9-19)24(20)26(29)25-22(27)14-17(3)15-23(25)28;1-15(2)9-10-20-16(3)11-18(17-7-5-4-6-8-17)12-21(20)25(29)24-22(27)13-19(26)14-23(24)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3;5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3;4-9,11,13-14,18,20-21,26-28H,10,12H2,1-3H3/t2*20-,21+,24-;18-,20-,21+/m011/s1
InChIKeyNMFLPHGZJHIVBR-VUQPUPSJSA-N
XLogP18.03
TPSA202.05 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001189.54
LogP ≤ 518.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone with MolForge

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Related Compounds

(2,4-dihydroxy-6-methoxyphenyl)-[3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
CID 66976619
(2,4-dihydroxy-6-methoxyphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
CID 163104926
(2,4-dihydroxy-6-methoxyphenyl)-[(6R)-3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
CID 102238291
[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-(4-methylphenyl)cyclohex-3-en-1-yl]-phenylmethanone
CID 135045048
methyl (1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-ene-1-carboxylate
CID 24864449
(2,6-dihydroxy-3,4-dimethoxyphenyl)-[4-methyl-5-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
CID 14585491
[(1R,2S,6R)-6-(4-methoxyphenyl)-3-methyl-2-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]-(4-methylphenyl)methanone
CID 135045052
[3-hydroxy-5-methoxy-2-[(1R,6R)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carbonyl]phenyl] acetate
CID 25023352
(2,6-dimethoxyphenyl)-[(1R,6R)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
CID 175847800
(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[3-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
CID 73105499
(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-4-phenylbut-2-en-1-one
CID 46224960
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 905962

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone?
The IUPAC name of (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone (CID 159820922) is (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone.
What is the SMILES notation for (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone?
The canonical SMILES for (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone is CC(C)=CC[C@@H]1C(C)=CC[C@@H](c2ccccc2)[C@@H]1C(=O)c1c(O)cc(C)cc1O.CC(C)=CC[C@@H]1C(C)=C[C@@H](c2ccccc2)C[C@@H]1C(=O)c1c(O)cc(O)cc1O.COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@@H](c2ccccc2)CC=C(C)[C@@H]1CC=C(C)C.
What is the InChIKey of (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone?
The InChIKey is NMFLPHGZJHIVBR-VUQPUPSJSA-N. The full InChI is InChI=1S/C26H30O4.C26H30O3.C25H28O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(28)14-19(27)15-23(25)30-4;1-16(2)10-12-20-18(4)11-13-21(19-8-6-5-7-9-19)24(20)26(29)25-22(27)14-17(3)15-23(25)28;1-15(2)9-10-20-16(3)11-18(17-7-5-4-6-8-17)12-21(20)25(29)24-22(27)13-19(26)14-23(24)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3;5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3;4-9,11,13-14,18,20-21,26-28H,10,12H2,1-3H3/t2*20-,21+,24-;18-,20-,21+/m011/s1.
What are the key properties of (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone?
(2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone has a molecular weight of 1189.54 g/mol, XLogP of 18.03, 16 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-6-methoxyphenyl)-[(1S,2R,6S)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;(2,6-dihydroxy-4-methylphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone;[(1S,2S,5S)-3-methyl-2-(3-methylbut-2-enyl)-5-phenylcyclohex-3-en-1-yl]-(2,4,6-trihydroxyphenyl)methanone is sourced from PubChem (CID 159820922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).