Molecule ID: 11644754

IUPAC Name: (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthrene-2,6-diol

Description: The molecule is a diterpenoid that is podocarpa-6,8,11,13-tetraene substituted by a methyl group at position 13 and hydroxy groups at position 3 and 12. Isolated from Securinega suffruticosa, it exhibits cytotoxicity towards human cancer cells. It has a role as a metabolite and an antineoplastic agent. It is a diterpenoid, a secondary alcohol and a member of phenols. It derives from a hydride of a podocarpane.

SMILES: Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C=C2

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@@H1][Ring1][#Branch2][C][=C][Ring1][P]

InChI: InChI=1S/C18H24O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h5-6,9-10,15-16,19-20H,7-8H2,1-4H3/t15-,16-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 4.2