Compound Identification
SMILES
CCC1C2CC3C4N(C)C5=CC=CC=C5C44CC(C2C4O)[N+]3(CC(O)CN2CCCC2)C1O
InChIKey
InChIKey=BSINHRRJSUOBJB-UHFFFAOYSA-N
Formula
C27H40N3O3
Mass
454.634
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ajmaline-sarpagine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ajmaline-sarpagine alkaloids
Alternative Parents
Beta carbolines Quinolizidines Quinuclidines Dialkylarylamines Azepanes Aralkylamines Piperidines N-alkylpyrrolidines Benzenoids Tetraalkylammonium salts Trialkylamines Secondary alcohols Hemiaminals Cyclic alcohols and derivatives 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sarpagine-skeleton - Pyridoindole - Beta-carboline - Quinolizidine - Indole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Quinuclidine - Aralkylamine - Azepane - Benzenoid - N-alkylpyrrolidine - Piperidine - Tetraalkylammonium salt - Pyrrolidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Hemiaminal - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ajmaline-sarpagine alkaloids. These are organic compounds containing either of the ajmalan, sarpagan skeleton, or derivative thereof. The Sarpagine (Akuammidine) group, based on the sarpagan nucleus, arises from bond formation between C-16 and C-5 of the corynantheine precursor. Ajmaline alkaloids are based on a 17,19-secoyohimban skeleton (oxayohimban) which is invariably present as an ether.
External Descriptors
Not available