Molecule ID: 11266327

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

Description: The molecule is an indole alkaloid that is sarpagan in which the methyl group attached to position 16 has been oxidised to the corresponding aldehyde. It has a role as a plant metabolite. It is an aldehyde, an organic heteropentacyclic compound and an indole alkaloid. It derives from a hydride of a sarpagan.

SMILES: C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C=O)[C@@H]2Cc1c3[nH]c2ccccc12

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

InChI: InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15+,17-,18-/m0/s1

Molecular Properties:
- Polar Surface Area: 36.1 Ų
- LogP: 2.0