Compound Identification
SMILES
CC[C@@]12CCC[N+]3=C1C1=C(C4=C(C=CC(Cl)=C4)N1C(=C2)C(=O)OC)C(O)=C3
InChIKey
InChIKey=QZWLSSCPGDIUGF-NRFANRHFSA-O
Formula
C21H20ClN2O3
Mass
383.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Eburnan-type alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Eburnan-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Eburnan-type alkaloids
Alternative Parents
Indolonaphthyridine alkaloids Beta carbolines Alpha amino acids and derivatives Naphthyridines Indoles Hydroxypyridines Pyridinium derivatives Aryl chlorides Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Enoate esters Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Eburna alkaloid - Indolo[3,2-1de][1,5]naphthyridine - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - Naphthyridine - Indole - Indole or derivatives - Hydroxypyridine - Aryl chloride - Aryl halide - Pyridine - Pyridinium - Benzenoid - Pyrrole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as eburnan-type alkaloids. These are alkaloids with a structure based on the eburnan skeleton, that arises from rearrangement of the aspidospermidine ring system, involving migration of C-21 from C-7 to C-2, fission of the 2,16-bond, and attachment of C-16 to N-1.
External Descriptors
Not available