Molecule ID: 442663

IUPAC Name: 7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one

Description: The molecule is an extended flavonoid that consists of quercetin substituted by a 2-isopropenyldihydrofuran ring across positions 6 and 7. It has a role as a plant metabolite and a metabolite. It is a tetrahydroxyflavone, a member of flavonols, an extended flavonoid and a furochromene. It derives from a quercetin.

SMILES: C=C(C)C1Cc2c(cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c2O)O1

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

InChI: InChI=1S/C20H16O7/c1-8(2)13-6-10-14(26-13)7-15-16(17(10)23)18(24)19(25)20(27-15)9-3-4-11(21)12(22)5-9/h3-5,7,13,21-23,25H,1,6H2,2H3

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 3.8