Molecule ID: 6708561

IUPAC Name: (4aS,10aS)-4a,7-dimethyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one

Description: The molecule is a tricyclic diterpenoidthat is 4a,7-dimethyl-3,4,4a,9,10,10a-hexahydrophenanthrene in which the methylene hydrogens at position 2 have been replaced by an oxo group. It has a role as a human xenobiotic metabolite. It is a carbotricyclic compound, a cyclic terpene ketone and a tricyclic diterpenoid.

SMILES: Cc1ccc2c(c1)CC[C@H]1CC(=O)CC[C@]21C

SELFIES: [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C][C][=Branch1][C][=O][C][C][C@][Ring1][N][Ring1][#Branch1][C]

InChI: InChI=1S/C16H20O/c1-11-3-6-15-12(9-11)4-5-13-10-14(17)7-8-16(13,15)2/h3,6,9,13H,4-5,7-8,10H2,1-2H3/t13-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 3.5