Molecule ID: 145944417

IUPAC Name: 6-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methyl-2-oxochromen-7-olate

Description: The molecule is a phenolate anion that is the conjugate base of desertorin A, obtained by deprotonation of 7-hydroxy group of desertorin A. It is the major microspecies at pH 7.3. It is a conjugate base of a desertorin A.

SMILES: COc1cc(=O)oc2cc(O)c(-c3c([O-])cc(C)c4c(OC)cc(=O)oc34)c(C)c12

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

InChI: InChI=1S/C22H18O8/c1-9-5-11(23)21(22-18(9)13(27-3)7-17(26)30-22)19-10(2)20-14(28-4)8-16(25)29-15(20)6-12(19)24/h5-8,23-24H,1-4H3/p-1

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: 3.6