Molecule ID: 1889

IUPAC Name: 7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Description: The molecule is a dihydroxyflavanone in which the two hydroxy substituents are located at positions 4' and 7. It has a role as a Brassica napus metabolite and a fungal xenobiotic metabolite. It is a dihydroxyflavanone, a polyphenol and a member of 4'-hydroxyflavanones. It derives from a flavanone.

SMILES: O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21

SELFIES: [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C]

InChI: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 2.2