Compound Identification
SMILES
CCOC1=CC(=CC(OCC)=C1OC)C(=O)O[C@@H]1C[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC
InChIKey
InChIKey=OAHKGCZRPCQUJS-NRDBUMKBSA-N
Formula
C35H44N2O9
Mass
636.742
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 Benzoic acid esters 3-alkylindoles Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Aralkylamines Alkyl aryl ethers Piperidines Dicarboxylic acids and derivatives Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Yohimbine - Corynanthean skeleton - Yohimbine alkaloid - Pyridoindole - Beta-carboline - Gallic acid or derivatives - P-methoxybenzoic acid or derivatives - 3-alkylindole - Benzoate ester - Indole or derivatives - Indole - Benzoic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - Piperidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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