Compound Identification
SMILES
C(OCC1CO1)C1CO1.CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=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=TTYXRRFSJGDOHU-BQTSRIDJSA-N
Formula
C39H50N2O12
Mass
738.831
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 M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives 3-alkylindoles Benzoic acid esters Methoxybenzenes Phenoxy compounds Anisoles Benzoyl derivatives Aralkylamines Alkyl aryl ethers Piperidines Methyl esters Heteroaromatic compounds Pyrroles Amino acids and derivatives Trialkylamines Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
Yohimbine - Corynanthean skeleton - Yohimbine alkaloid - Beta-carboline - Pyridoindole - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - 3-alkylindole - Benzoate ester - Benzoic acid or derivatives - Indole or derivatives - Indole - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Phenol ether - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Piperidine - Methyl ester - Heteroaromatic compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Oxirane - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - 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