Molecule ID: 44179301

IUPAC Name: (1S,2R,4R,5R,10S,11S,13R,14R,15R,18R)-5-ethenyl-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

Description: The molecule is a diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1). It has a role as a metabolite and an AP-1 antagonist. It is a gamma-lactone, a delta-lactone, a diterpene lactone, an epoxide and an organic heterohexacyclic compound.

SMILES: C=C[C@H]1OC(=O)C=C2[C@]3(C)[C@H]4[C@H](OC(=O)[C@@]4(C)[C@@H](O)[C@H]4O[C@H]43)[C@H]3O[C@@]231

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

InChI: InChI=1S/C18H18O7/c1-4-7-18-6(5-8(19)22-7)16(2)11-9(14(18)25-18)24-15(21)17(11,3)12(20)10-13(16)23-10/h4-5,7,9-14,20H,1H2,2-3H3/t7-,9+,10-,11-,12+,13-,14-,16-,17-,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 97.9 Ų
- LogP: -0.4