Compound Identification
SMILES
CC[C@@]12CC(C(=O)OC)=C3NC4=C(C=CC(OC)=C4)[C@@]33CCN(C[C@@H](Cl)[C@@H]1O)[C@@H]23
InChIKey
InChIKey=FFFMVXSVOMZOKB-AFDQJQDHSA-N
Formula
C22H27ClN2O4
Mass
418.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Aspidospermatan-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Aspidospermatan-type alkaloids
Alternative Parents
Plumeran-type alkaloids Carbazoles Indolines Indolizidines Anisoles Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Piperidines N-alkylpyrrolidines Methyl esters Enoate esters Vinylogous amides Trialkylamines Secondary alcohols Amino acids and derivatives Chlorohydrins Monocarboxylic acids and derivatives Azacyclic compounds Enamines Hydrocarbon derivatives Alkyl chlorides Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspidosperma alkaloid - Plumeran-type alkaloid - Carbazole - Indolizidine - Dihydroindole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Piperidine - N-alkylpyrrolidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrolidine - Halohydrin - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary aliphatic amine - Chlorohydrin - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Enamine - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aspidospermatan-type alkaloids. These are tryptophan-derived alkaloids that are derived from the fusion of tryptamine and a terpene unit (generally either 9 or 10 carbons). Aspidospermine and aspidospermidine (along with tabersonine) are the archetypical members of the Aspidosperma alkaloids.
External Descriptors
Not available