Molecule ID: 160597

IUPAC Name: (12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene

Description: The molecule is an aporphine alkaloid that exhibits anti-cancer, trypanocidal and antiplasmodial activites. It has a role as an antineoplastic agent, a trypanocidal drug and an antiplasmodial drug. It is an oxacycle, an organic heteropentacyclic compound and an aporphine alkaloid. It derives from a hydride of an aporphine.

SMILES: c1ccc2c(c1)C[C@H]1NCCc3cc4c(c-2c31)OCO4

SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C@H1][N][C][C][C][=C][C][=C][Branch1][=Branch2][C][Ring1][=N][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][O][Ring1][#Branch1]

InChI: InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/t13-/m1/s1

Molecular Properties:
- Polar Surface Area: 30.5 Ų
- LogP: 2.8