Molecule ID: 42642846

IUPAC Name: 2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxy-4-methoxyphenyl]-3,5,7-trihydroxychromen-4-one

Description: The molecule is a tetrahydroxyflavone that is flavonol substituted by additional hydroxy groups at positions 5, 7 and 3', a methoxy group at position 4' and a geranyl group at position 2'. It has been isolated from the twigs of Morus nigra. It has a role as a plant metabolite. It is a tetrahydroxyflavone, a member of flavonols and a monomethoxyflavone. It derives from a flavonol.

SMILES: COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)c(C/C=C(\C)CCC=C(C)C)c1O

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

InChI: InChI=1S/C26H28O7/c1-14(2)6-5-7-15(3)8-9-17-18(10-11-20(32-4)23(17)29)26-25(31)24(30)22-19(28)12-16(27)13-21(22)33-26/h6,8,10-13,27-29,31H,5,7,9H2,1-4H3/b15-8+

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 6.3