Molecule ID: 11694896

IUPAC Name: (2S,4aS)-2,6-dihydroxy-1,1,4a,7-tetramethyl-3,4-dihydro-2H-phenanthren-9-one

Description: The molecule is a diterpenoid that is podocarpa-5,8,11,13-tetraen-7-one substituted by hydroxy groups at positions 3 and 12 and a methyl group at position 13 (the 3beta stereoisomer). Isolated from Securinega suffruticosa, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is an enone, a carbotricyclic compound, a secondary alcohol, a member of phenols, a diterpenoid and an aromatic ketone.

SMILES: Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)C1=CC2=O

SELFIES: [C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=C][C][Ring1][P][=O]

InChI: InChI=1S/C18H22O3/c1-10-7-11-12(8-13(10)19)18(4)6-5-16(21)17(2,3)15(18)9-14(11)20/h7-9,16,19,21H,5-6H2,1-4H3/t16-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 3.1