Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=C2C=CC(=C3)C#N)=C1
InChIKey
InChIKey=MAQRFXNVCBFDJC-KRWDZBQOSA-N
Formula
C21H22N2O4
Mass
366.417
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
Anisoles Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Allocolchicine alkaloid skeleton - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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