Molecule ID: 145864724

IUPAC Name: 6-hydroxy-8-methoxy-2-methyl-4-oxobenzo[g]chromen-5-olate

Description: The molecule is a phenolate anion obtained by deprotonation of the 5-hydroxy group of rubrofusarin. It is the major microspecies at pH 7.3. It is a conjugate base of a rubrofusarin.

SMILES: COc1cc([O-])c2c(O)c3c(=O)cc(C)oc3cc2c1

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

InChI: InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: 3.6