Compound Identification
SMILES
OC(=O)C1=CN=CC=C1.COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4=C(NC5=CC(OC)=C(OC)C=C45)[C@@H]3C[C@H]12
InChIKey
InChIKey=PMRBSLJZTOLGHS-DEIYWNCWSA-N
Formula
C29H33N3O7
Mass
535.597
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 Pyridinecarboxylic acids Anisoles Aralkylamines Alkyl aryl ethers Piperidines Vinylogous esters Pyrroles Methyl esters Heteroaromatic compounds Enoate esters Trialkylamines Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
18-oxayohimban - Ajmalicine-skeleton - Corynanthean skeleton - Yohimbine alkaloid - Pyridoindole - Beta-carboline - 3-alkylindole - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Indole or derivatives - Indole - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - 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