Molecule ID: 441594

IUPAC Name: (2S,3S,9S,10S)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one

Description: The molecule is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound.

SMILES: CN1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5

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

InChI: InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3/t11-,14-,15+,16+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 0.7