Molecule ID: 21763837

IUPAC Name: 1-[(1R,9S,10S,11R,12E,17S)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone

Description: The molecule is a monoterpenoid indole alkaloid with formula C21H26N2O2, isolated from several species of Strychnos. It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, a primary alcohol, a tertiary amino compound, an organic heteropentacyclic compound and a member of acetamides.

SMILES: C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](CO)[C@H]1C[C@H]24

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

InChI: InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/b14-3-/t15-,16-,19-,20-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 43.8 Ų
- LogP: 1.4