Molecule ID: 442583

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

Description: The molecule is a trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. It has been isolated from the plant Callicarpa japonica and has been shown to exhibit antiviral activity. It has a role as a plant metabolite and an anti-HSV-1 agent. It derives from a baicalein.

SMILES: COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC

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

InChI: InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3

Molecular Properties:
- Polar Surface Area: 54.0 Ų
- LogP: 3.1