Compound Identification
SMILES
CCC1C2CC3C4N(C)C5=C(C=C(Br)C=C5)C44CC(C2C4O)[N+]3(CC(O)CN2CCCCC2)C1O
InChIKey
InChIKey=FLBNPKVMSCMVDP-UHFFFAOYSA-N
Formula
C28H41BrN3O3
Mass
547.557
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 Aralkylamines Azepanes Aryl bromides Benzenoids Piperidines Tetraalkylammonium salts Hemiaminals 1,2-aminoalcohols Cyclic alcohols and derivatives Secondary alcohols Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic salts Organobromides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sarpagine-skeleton - Beta-carboline - Pyridoindole - Quinolizidine - Indole or derivatives - Dialkylarylamine - Quinuclidine - Tertiary aliphatic/aromatic amine - Azepane - Aralkylamine - Aryl bromide - Aryl halide - Piperidine - Benzenoid - Tetraalkylammonium salt - Cyclic alcohol - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Hemiaminal - Alkanolamine - Organoheterocyclic compound - Azacycle - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen 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