Molecule ID: 5352072

IUPAC Name: 5,7-dihydroxy-8-(1-methylpiperidin-2-yl)-2-phenylchromen-4-one

Description: The molecule is a piperidine alkaloid that consists of 5,7-dihydroxyflavone attached to a 1-methylpiperindin-2-yl moiety at position 8. It is a flavonoid alkaloid isolated from Buchenavia capitata, and has been shown to exhibit anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is a piperidine alkaloid and a dihydroxyflavone.

SMILES: CN1CCCCC1c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12

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

InChI: InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3

Molecular Properties:
- Polar Surface Area: 70.0 Ų
- LogP: 3.7