Molecule ID: 53357350

IUPAC Name: 2-[(1R,4S,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

Description: The molecule is a hydroxy-cannabidiol that is cannabidiol in which the 6-pro-S hydrogen of the cyclohexene ring has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced by CYP2C19 and CYP3A. It has a role as a human xenobiotic metabolite. It is a hydroxy-cannabidiol, a member of resorcinols, an olefinic compound and a secondary alcohol.

SMILES: C=C(C)[C@@H]1C[C@H](O)C(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O

SELFIES: [C][=C][Branch1][C][C][C@@H1][C][C@H1][Branch1][C][O][C][Branch1][C][C][=C][C@H1][Ring1][Branch2][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][C][C][C][C][C][=C][Ring1][N][O]

InChI: InChI=1S/C21H30O3/c1-5-6-7-8-15-10-19(23)21(20(24)11-15)17-9-14(4)18(22)12-16(17)13(2)3/h9-11,16-18,22-24H,2,5-8,12H2,1,3-4H3/t16-,17+,18-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.7 Ų
- LogP: 5.2