Compound Identification
SMILES
CO[C@H]1[C@@H](C[C@@H]2C[N+]3(C)CCC4=C(NC5=C4C=CC(OC)=C5)[C@@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=TXVJPLOLASFSFY-VZCXPEGNSA-N
Formula
C34H43N2O9
Mass
623.722
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 Gallic acid and derivatives P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives 3-alkylindoles Benzoic acid esters Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Aralkylamines Piperidines Tetraalkylammonium salts Pyrroles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Yohimbine - Corynanthean skeleton - Yohimbine alkaloid - Pyridoindole - Beta-carboline - Gallic acid or derivatives - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzoate ester - 3-alkylindole - Indole - Indole or derivatives - Benzoic acid or derivatives - Benzoyl - Phenol ether - Anisole - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyrrole - Quaternary ammonium salt - Methyl ester - Tetraalkylammonium salt - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organic cation - 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