Molecule ID: 101621543

IUPAC Name: 5-(5-hydroxypentyl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol

Description: The molecule is a hydroxy-cannabidiol that is cannabidiol in which one of the hydrogens at position 5 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes. It is a hydroxy-cannabidiol, an olefinic compound, a member of resorcinols and a primary alcohol.

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

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

InChI: InChI=1S/C21H30O3/c1-14(2)17-9-8-15(3)11-18(17)21-19(23)12-16(13-20(21)24)7-5-4-6-10-22/h11-13,17-18,22-24H,1,4-10H2,2-3H3/t17-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 60.7 Ų
- LogP: 4.9