Molecule ID: 467782

IUPAC Name: 6-methoxy-1,2-dimethyl-7-propan-2-ylphenanthrene

Description: The molecule is a diterpenoid that is phenanthrene substituted by a methoxy group at position 6, methyl groups at position 1 and 2 and an isopropyl group at position 7. 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 diterpenoid, a member of phenanthrenes and an aromatic ether.

SMILES: COc1cc2c(ccc3c(C)c(C)ccc32)cc1C(C)C

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][C][=C][Ring1][Branch2][Ring1][N][C][=C][Ring1][S][C][Branch1][C][C][C]

InChI: InChI=1S/C20H22O/c1-12(2)18-10-15-7-9-16-14(4)13(3)6-8-17(16)19(15)11-20(18)21-5/h6-12H,1-5H3

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 6.2