Molecule ID: 637324

IUPAC Name: (4S,8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione

Description: The molecule is a macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme. It has a role as a Penicillium metabolite and an EC 2.7.7.6 (RNA polymerase) inhibitor. It is a macrocyclic lactone and an enone.

SMILES: C[C@H]1CCCC[C@H]2C(=O)C=C[C@H](O)[C@@H]2CC(=O)O1

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

InChI: InChI=1S/C14H20O4/c1-9-4-2-3-5-10-11(8-14(17)18-9)13(16)7-6-12(10)15/h6-7,9-11,13,16H,2-5,8H2,1H3/t9-,10+,11+,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.4