Molecule ID: 25201489

IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-3-olate

Description: The molecule is conjugate base of kaempferide arising from selective deprotonation of the 3-hydroxy group. It is a conjugate base of a kaempferide.

SMILES: COc1ccc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][Branch1][C][O-1][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][O][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 2.9