Decarbomethoxytetrahydrosecodine; (R)-form, 19-Oxo
AlkaPlorer ID: AK294637
Synonym: 19-Oxodecarbomethoxytetrahydrosecodine
IUPAC Name: 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone
Structure
SMILES: CCC1=C(CCN2CCCC(C(C)=O)C2)C2=CC=CC=C2N1
InChI: InChI=1S/C19H26N2O/c1-3-18-17(16-8-4-5-9-19(16)20-18)10-12-21-11-6-7-15(13-21)14(2)22/h4-5,8-9,15,20H,3,6-7,10-13H2,1-2H3
InChIKey: STVWAYDBYXANBI-UHFFFAOYSA-N
Reference
Aspidosperma de Guyane: Alcaloïdes de Aspidosperma marcgravianum
PubChem CID: 71319091
CAS: 88607-53-8
LOTUS: LTS0007726
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma marcgravianum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 298.43
TPSA？: 36.1
MolLogP？: 3.573800000000002
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|