Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=C2C=CC(OC(=O)CCC(=O)N(CCO)CCO)=C3)=C1
InChIKey
InChIKey=CWYAUOIPNIGUCX-QFIPXVFZSA-N
Formula
C28H36N2O9
Mass
544.601
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Allocolchicine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Allocolchicine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Allocolchicine alkaloids
Alternative Parents
Phenol esters Anisoles Fatty acid esters Alkyl aryl ethers N-acyl amines Tertiary carboxylic acid amides Acetamides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Alkanolamines Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Allocolchicine alkaloid skeleton - Phenol ester - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - N-acyl-amine - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as allocolchicine alkaloids. These are alkaloids with a structure based on the tricyclic allocolchicine skeleton, which consists of a dibenzocycloheptane where the cycloheptane moiety carries the N-acetamide group.
External Descriptors
Not available