Molecule ID: 500428

IUPAC Name: 4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,12,14,16,18(22)-octaen-11-one

Description: The molecule is an oxoaporphine alkaloid isolated from Hernandia ovigera and Lindera chunii and has been shown exhibit inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is an organic heterohexacyclic compound, an oxacycle, a cyclic ketone and an oxoaporphine alkaloid.

SMILES: O=C1c2ccc3c(c2-c2c4c(cc5ccnc1c25)OCO4)OCO3

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

InChI: InChI=1S/C18H9NO5/c20-16-9-1-2-10-17(23-6-21-10)13(9)14-12-8(3-4-19-15(12)16)5-11-18(14)24-7-22-11/h1-5H,6-7H2

Molecular Properties:
- Polar Surface Area: 66.9 Ų
- LogP: 3.2