Molecule ID: 135397966

IUPAC Name: methyl (1S,12S,13R,14R,15E)-15-ethylidene-13-formyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

Description: The molecule is an alkaloid ester, a methyl ester, an aldehyde and an organic heterotetracyclic compound. It derives from a sarpagine.

SMILES: C/C=C1/CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@H]1[C@@]3(C=O)C(=O)OC

SELFIES: [C][/C][=C][/C][N][C@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][C][C@H1][Ring1][P][C@@][Ring1][#C][Branch1][Ring1][C][=O][C][=Branch1][C][=O][O][C]

InChI: InChI=1S/C21H22N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,11,15,17-18,22H,8-10H2,1-2H3/b12-3-/t15-,17+,18+,21-/m1/s1

Molecular Properties:
- Polar Surface Area: 62.4 Ų
- LogP: 1.9