Molecule ID: 86289424

IUPAC Name: 7-hydroxy-6-methoxy-4-oxo-2-phenylchromen-5-olate

Description: The molecule is a flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of oroxylin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as an antineoplastic agent and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a conjugate base of an oroxylin A.

SMILES: COc1c([O-])cc2oc(-c3ccccc3)cc(=O)c2c1O

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

InChI: InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: 3.1