Molecule ID: 5281616

IUPAC Name: 3,5,7-trihydroxy-2-phenylchromen-4-one

Description: The molecule is a 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. It has a role as an antimicrobial agent, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor and a plant metabolite. It is a trihydroxyflavone and a 7-hydroxyflavonol.

SMILES: O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12

SELFIES: [O][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][Ring1][Branch2]

InChI: InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 2.3