Molecule ID: 24873683

IUPAC Name: 3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoic acid

Description: The molecule is a polycyclic cage attached to a 2-carboxyethyl side chain. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ketone, a monocarboxylic acid, a cyclic ether and a polycyclic cage.

SMILES: C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)O)[C@@H]3[C@H](C[C@@H]1C4)O2

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

InChI: InChI=1S/C17H22O4/c1-15(5-4-13(19)20)12(18)3-6-17-8-10-7-11(14(15)17)21-16(10,2)9-17/h3,6,10-11,14H,4-5,7-9H2,1-2H3,(H,19,20)/t10-,11+,14+,15-,16+,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.7