Compound Identification
SMILES
O[C@H]([C@@H](O)C([O-])=O)C(O)=O.CCCCCC[N+]12[C@H]3CC45[C@H](O)C3C(C[C@H]1[C@@H]4N(C)C1=C5C=C(Br)C=C1)[C@H](CC)[C@H]2O
InChIKey
InChIKey=GOSBILILBHLETE-RZJHXRLLSA-M
Formula
C30H43BrN2O8
Mass
639.584
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 Dialkylarylamines Quinuclidines Sugar acids and derivatives Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Aralkylamines Azepanes Dicarboxylic acids and derivatives Aryl bromides Benzenoids Piperidines Monosaccharides Alpha hydroxy acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Secondary alcohols Cyclic alcohols and derivatives Hemiaminals Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Organobromides
Molecular Framework
Not available
Substituents
Sarpagine-skeleton - Pyridoindole - Beta-carboline - Quinolizidine - Indole or derivatives - Quinuclidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Azepane - Aralkylamine - Fatty acid - Monosaccharide - Benzenoid - Dicarboxylic acid or derivatives - Piperidine - Alpha-hydroxy acid - Aryl bromide - Hydroxy acid - Aryl halide - Cyclic alcohol - Tetraalkylammonium salt - Secondary alcohol - Hemiaminal - Tertiary amine - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - 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