Molecule ID: 53321447

IUPAC Name: 5-hydroxy-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one

Description: The molecule is an extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2', 4' and 5', a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2H-pyran group across positions 7 and 8. It has been isolated from Artocarpus odoratissimus. It has a role as a plant metabolite. It is a tetrahydroxyflavone and an extended flavonoid.

SMILES: C/C(=C/Cc1c(-c2cc(O)c(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3)CO

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

InChI: InChI=1S/C25H24O8/c1-12(11-26)4-5-14-22(31)21-19(30)10-20-13(6-7-25(2,3)33-20)24(21)32-23(14)15-8-17(28)18(29)9-16(15)27/h4,6-10,26-30H,5,11H2,1-3H3/b12-4-

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: 3.9