Molecule ID: 10247422

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one

Description: The molecule is an extended flavonoid that is 4H,8H-pyrano[2,3-f]chromen-4-one substituted by a 3,4-dihydroxyphenyl group at position 2, hydroxy group at position 5 and geminal methyl groups at position 8. It is isolated from the roots of Artocarpus chama and exhibits cytotoxicity against a panel of human tumour cell lines like breast adenocarcinoma, ovarian carcinoma, ileocecal carcinoma and melanoma. It has a role as a metabolite and an antineoplastic agent. It is a trihydroxyflavone, an extended flavonoid and a pyranochromane.

SMILES: CC1(C)C=Cc2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1

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

InChI: InChI=1S/C20H16O6/c1-20(2)6-5-11-17(26-20)9-15(24)18-14(23)8-16(25-19(11)18)10-3-4-12(21)13(22)7-10/h3-9,21-22,24H,1-2H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 3.6