Molecule ID: 86289594

IUPAC Name: 2-(3,7-dimethylocta-1,6-dien-3-yl)-3-hydroxy-6-methoxy-7-methyl-5,8-dioxonaphthalen-1-olate

Description: The molecule is an organic anion that is the conjugate base of 6-linalyl-2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 6-linalyl-2-O,3-dimethylflaviolin.

SMILES: C=CC(C)(CCC=C(C)C)c1c([O-])cc2c(c1O)C(=O)C(C)=C(OC)C2=O

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

InChI: InChI=1S/C22H26O5/c1-7-22(5,10-8-9-12(2)3)17-15(23)11-14-16(20(17)26)18(24)13(4)21(27-6)19(14)25/h7,9,11,23,26H,1,8,10H2,2-6H3/p-1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 5.9