Compound Identification
SMILES
COC(=O)[C@@]12CN(C)C[C@H]([C@H](C)Cl)[C@@H]1CC(=O)C1=C(C2)C2=CC=CC=C2N1
InChIKey
InChIKey=WLLBDYNTMPXBNL-UFNZFVHCSA-N
Formula
C21H25ClN2O3
Mass
388.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ervatamia alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ervatamia alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ervatamia alkaloids
Alternative Parents
3-alkylindoles Piperidinecarboxylic acids Aryl alkyl ketones Aralkylamines Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl chlorides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ervatamia skeleton - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organochloride - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ervatamia alkaloids. These are alkaloids with a structure based on the tetracyclic ervatamia skeleton, which arises from the 5,6- bond cleavage and 6,16- bond formation in the vobasine skeleton.
External Descriptors
Not available