Molecule ID: 23661417

IUPAC Name: 1-[(1R,5E,9S,10S)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]-4-methylpent-3-en-1-one

Description: The molecule is a diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a diterpenoid and a ketone.

SMILES: C=C1CC/C=C(\C)CC[C@H]2[C@H]1C[C@]2(C)C(=O)CC=C(C)C

SELFIES: [C][=C][C][C][/C][=C][Branch1][C][\C][C][C][C@H1][C@H1][Ring1][#Branch2][C][C@][Ring1][Ring2][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C]

InChI: InChI=1S/C20H30O/c1-14(2)9-12-19(21)20(5)13-17-16(4)8-6-7-15(3)10-11-18(17)20/h7,9,17-18H,4,6,8,10-13H2,1-3,5H3/b15-7+/t17-,18-,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 4.7