Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CCC(NC(C)=O)C3=CC(O)=C(I)C=C23)=C1
InChIKey
InChIKey=NTJNSPIBKNYJBX-UHFFFAOYSA-N
Formula
C20H22INO5
Mass
483.302
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
O-iodophenols Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Allocolchicine alkaloid skeleton - Anisole - 2-iodophenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl iodide - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen 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