Molecule ID: 56834067

IUPAC Name: (E)-5-(5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-6-yl)-7-phenylhept-6-enoic acid

Description: The molecule is a dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a 6-carboxy-1-phenylhex-1-en-3-yl group at position 6. It has a role as a plant metabolite. It is a dihydroxyflavanone and a monocarboxylic acid.

SMILES: O=C(O)CCCC(/C=C/c1ccccc1)c1c(O)cc2c(c1O)C(=O)CC(c1ccccc1)O2

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]

InChI: InChI=1S/C28H26O6/c29-21-17-24-27(22(30)16-23(34-24)19-10-5-2-6-11-19)28(33)26(21)20(12-7-13-25(31)32)15-14-18-8-3-1-4-9-18/h1-6,8-11,14-15,17,20,23,29,33H,7,12-13,16H2,(H,31,32)/b15-14+

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 5.5