Molecule ID: 54679752

IUPAC Name: 3-(2,4-dihydroxyphenyl)-4,7-dihydroxychromen-2-one

Description: The molecule is a hydroxycoumarin that is 4,7-dihydroxy-2H-chromen-2-one substituted by a 2,4-dihydroxyphenyl group at position 3. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea. It has a role as a metabolite, an antifungal agent and an antibacterial agent. It is a hydroxycoumarin and a polyphenol.

SMILES: O=c1oc2cc(O)ccc2c(O)c1-c1ccc(O)cc1O

SELFIES: [O][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O]

InChI: InChI=1S/C15H10O6/c16-7-1-3-9(11(18)5-7)13-14(19)10-4-2-8(17)6-12(10)21-15(13)20/h1-6,16-19H

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 1.8