Molecule ID: 181498

IUPAC Name: (1S,6R,9R,12S,16R)-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-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 and an organic heterotetracyclic compound.

SMILES: CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)CCC[C@@]2(C)[C@@H]13

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

InChI: InChI=1S/C19H24O4/c1-10(2)15-11-8-13-16-18(3,12(11)9-14(20)23-15)6-5-7-19(16,4)17(21)22-13/h8-10,13,15-16H,5-7H2,1-4H3/t13-,15-,16-,18-,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 3.1