Molecule ID: 160502

IUPAC Name: (12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol

Description: The molecule is an organic heteropentacyclic compound 6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinoline bering additional hydroxy and methoxy substituents at positions 10 and 11 respectively. It has a role as an apoptosis inducer, a plant metabolite, a topoisomerase inhibitor, an antifungal agent, an antibacterial agent, an antineoplastic agent and a platelet aggregation inhibitor. It is an organic heteropentacyclic compound, an aromatic ether, a secondary amino compound, a member of phenols and an aporphine alkaloid.

SMILES: COc1cc2c(cc1O)C[C@@H]1NCCc3cc4c(c-2c31)OCO4

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

InChI: InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.0 Ų
- LogP: 2.4