Molecule ID: 467785

IUPAC Name: 6-hydroxy-7,8-dimethyl-2-propan-2-ylphenanthrene-3,4-dione

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

SMILES: Cc1c(O)cc2c3c(ccc2c1C)C=C(C(C)C)C(=O)C3=O

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

InChI: InChI=1S/C19H18O3/c1-9(2)14-7-12-5-6-13-10(3)11(4)16(20)8-15(13)17(12)19(22)18(14)21/h5-9,20H,1-4H3

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 4.2