Molecule ID: 54581281

IUPAC Name: (1S,2R,4R,5R,10S,11S,13R,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-propan-2-yl-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 diterpene lactone, a gamma-lactone, an epoxide, a delta-lactone and an organic heterohexacyclic compound.

SMILES: CC(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@]213

SELFIES: [C][C][Branch1][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][Ring2][Ring1][#Branch1][Ring1][Ring1]

InChI: InChI=1S/C19H22O7/c1-6(2)13-19-7(5-8(20)23-13)17(3)11-9(15(19)26-19)25-16(22)18(11,4)12(21)10-14(17)24-10/h5-6,9-15,21H,1-4H3/t9-,10+,11+,12-,13+,14+,15+,17+,18+,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 97.9 Ų
- LogP: 0.3