Molecule ID: 44233478

IUPAC Name: 3-[(1S,5S,6R,7S,9R,10S,12R)-12-hydroxy-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 that is the 14-hydroxy derivative of platensic acid. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ether, a cyclic ketone, a monocarboxylic acid, a secondary alcohol and a polycyclic cage. It derives from a platensic acid.

SMILES: C[C@@]12O[C@H]3C[C@@H]1C[C@@]1(C=CC(=O)[C@@](C)(CCC(=O)O)[C@H]31)[C@H]2O

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

InChI: InChI=1S/C17H22O5/c1-15(5-4-12(19)20)11(18)3-6-17-8-9-7-10(13(15)17)22-16(9,2)14(17)21/h3,6,9-10,13-14,21H,4-5,7-8H2,1-2H3,(H,19,20)/t9-,10+,13+,14+,15-,16-,17-/m1/s1

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 0.7