Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=C2C=CC(OC(=O)CCl)=C3)=C1
InChIKey
InChIKey=ZQTBRRKINBWCNT-KRWDZBQOSA-N
Formula
C22H24ClNO6
Mass
433.89
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 Alkyl aryl ethers Alpha-halocarboxylic acid derivatives Acetamides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Allocolchicine alkaloid skeleton - Phenol ester - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl chloride - 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