Molecule ID: 3084224

IUPAC Name: 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-one

Description: The molecule is an oxoaporphine alkaloid isolated from Annona glabra and has been shown to exhibit acetylcholinesterase inhibitory activity. It has a role as a plant metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is an organic heteropentacyclic compound, an oxacycle, an aromatic ether, an alkaloid antibiotic and an oxoaporphine alkaloid. It derives from an aporphine.

SMILES: COc1cc2ccnc3c2c(c1OC)-c1cc2c(cc1C3=O)OCO2

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

InChI: InChI=1S/C19H13NO5/c1-22-14-5-9-3-4-20-17-15(9)16(19(14)23-2)10-6-12-13(25-8-24-12)7-11(10)18(17)21/h3-7H,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 66.9 Ų
- LogP: 3.3