Molecule ID: 5461035

IUPAC Name: (1R,3R,4R)-6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxocyclohexane-1-carbaldehyde

Description: The molecule is an antibiotic produced by Penicillium frequentans Westling. It has a role as a Penicillium metabolite. It is a carbocyclic antibiotic and a hydroxycyclohexanone.

SMILES: CCC/C=C/C=C/C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1C=O

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

InChI: InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10?,11-,12+,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 1.3