Molecule ID: 25200461

IUPAC Name: 3-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-olate

Description: The molecule is the oxoanion obtained by selective deprotonation of the 7-hydroxy group of kievitone; major species at pH 7.3. It is a conjugate base of a kievitone.

SMILES: CC(C)=CCc1c(O)cc(O)c2c1OCC(c1ccc([O-])cc1O)C2=O

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

InChI: InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 4.8