Molecule ID: 5320315

IUPAC Name: 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one

Description: The molecule is a dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6. It has a role as an antineoplastic agent and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a monomethoxyflavone and a dihydroxyflavone. It is a conjugate acid of an oroxylin A(1-).

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

SELFIES: [C][O][C][=C][Branch1][C][O][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

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 2.1