Molecule ID: 244387

IUPAC Name: 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one

Description: The molecule is a methoxyflavanone that is flavanone substituted by methoxy groups at positions 5, 6 and 7 and a hydroxy group at position 4'. It has a role as a plant metabolite. It is a methoxyflavanone, a monohydroxyflavanone and a member of 4'-hydroxyflavanones. It derives from a flavanone.

SMILES: COc1cc2c(c(OC)c1OC)C(=O)CC(c1ccc(O)cc1)O2

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

InChI: InChI=1S/C18H18O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-7,9,13,19H,8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 74.2 Ų
- LogP: 2.5