Compound Identification
SMILES
O[NH+]([O-])C1=CC2=C(OC1C1=CC=C(C=C1)C#N)C=CC(Cl)=C2
InChIKey
InChIKey=AMFISWKOVBTJRK-UHFFFAOYSA-N
Formula
C16H11ClN2O3
Mass
314.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flav-3-enes
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Flav-3-enes
Alternative Parents
1-benzopyrans Benzonitriles Alkyl aryl ethers Aryl chlorides Oxacyclic compounds Nitriles N-organohydroxylamines Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - Benzopyran - 1-benzopyran - Benzonitrile - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxacycle - Ether - Carbonitrile - Nitrile - N-organohydroxylamine - Organoheterocyclic compound - Organochloride - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.
External Descriptors
Not available