Molecule ID: 145864743

IUPAC Name: 6,8-dimethoxy-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 B. It is the major microspecies at pH 7.3. It is a conjugate base of a rubrofusarin B.

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

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

InChI: InChI=1S/C16H14O5/c1-8-4-11(17)15-13(21-8)6-9-5-10(19-2)7-12(20-3)14(9)16(15)18/h4-7,18H,1-3H3/p-1

Molecular Properties:
- Polar Surface Area: 67.8 Ų
- LogP: 3.4