Compound Identification
SMILES
N1C=CN=C1.C[C@@H]1OC=C([C@H]2C[C@@H]3N(CCC4=C3NC3=CC=CC=C43)C[C@@H]12)C(O)=O
InChIKey
InChIKey=XWLTVDWTKVLFAT-BEXXLDLDSA-N
Formula
C23H26N4O3
Mass
406.486
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Yohimbine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Yohimbine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Yohimbine alkaloids
Alternative Parents
Corynanthean-type alkaloids Beta carbolines 3-alkylindoles Aralkylamines Benzenoids Piperidines Vinylogous esters Pyrroles Heteroaromatic compounds Imidazoles Amino acids Trialkylamines Carboxylic acids Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
18-oxayohimban - Corynanthean skeleton - Yohimbine alkaloid - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Piperidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Pyrrole - Vinylogous ester - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as yohimbine alkaloids. These are alkaloids containing the pentacyclic yohimban skeleton. The Yohimbinoid alkaloids contain a carbocyclic ring E arising through C-17 to C-18 bond formation in a corynantheine precursor.
External Descriptors
Not available