Molecule ID: 467783

IUPAC Name: 7,8-dimethyl-2-propan-2-ylphenanthren-3-ol

Description: The molecule is a diterpenoid that is multicaulin in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity. It has a role as a metabolite and an antitubercular agent. It is a member of phenols, a diterpenoid and a member of phenanthrenes.

SMILES: Cc1ccc2c(ccc3cc(C(C)C)c(O)cc32)c1C

SELFIES: [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][=C][=C][Ring2][Ring1][C][C]

InChI: InChI=1S/C19H20O/c1-11(2)17-9-14-6-8-15-13(4)12(3)5-7-16(15)18(14)10-19(17)20/h5-11,20H,1-4H3

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.9