Compound Identification
SMILES
CCOC1=C(OCC2=CC(Cl)=C(Cl)C=C2)C(I)=CC(=C1)C1C2=C(OC(N)=C1C#N)C=C(O)C=C2
InChIKey
InChIKey=WYLCJESSAKXJEK-UHFFFAOYSA-N
Formula
C25H19Cl2IN2O4
Mass
609.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
1-benzopyrans Phenoxy compounds Phenol ethers Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Iodobenzenes Aryl chlorides Aryl iodides Ketene acetals Nitriles Oxacyclic compounds Hydrocarbon derivatives Monoalkylamines Organochlorides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Nitrile - Carbonitrile - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organoiodide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available