Compound Identification
SMILES
COC(O)C1(C2CC3N(CCC4=C3NC3=CC(OC)=CC=C43)CC2CC(OC(=O)C=CC2=CC(OC)=C(OC)C(OC)=C2)C1OC)C(O)=O
InChIKey
InChIKey=XQKBUDZSBHVTAQ-UHFFFAOYSA-N
Formula
C36H44N2O11
Mass
680.751
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Corynanthean-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Corynanthean-type alkaloids
Alternative Parents
Beta carbolines Cinnamic acid esters Coumaric acids and derivatives 3-alkylindoles Anisoles Styrenes Methoxybenzenes Phenoxy compounds Aralkylamines Alkyl aryl ethers Beta hydroxy acids and derivatives Fatty acid esters Piperidines Dicarboxylic acids and derivatives Pyrroles Heteroaromatic compounds Enoate esters Trialkylamines Hemiacetals Amino acids Dialkyl ethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Corynanthean skeleton - Beta-carboline - Pyridoindole - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Fatty acid ester - Beta-hydroxy acid - Aralkylamine - Alkyl aryl ether - Dicarboxylic acid or derivatives - Hydroxy acid - Monocyclic benzene moiety - Benzenoid - Piperidine - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Hemiacetal - Amino acid - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carboxylic acid - Dialkyl ether - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as corynanthean-type alkaloids. These are alkaloids with a structure based on the corynanthean nucleus, which is a tetracycle characterized by an indole fused to a quinolizidine. Additionally, the quinolizidine ring system is substituted to a 2-methylpropyl group and one ethyl group.
External Descriptors
Not available