Compound Identification
SMILES
COC1=CC=CC=C1C=C(N1C=NC=N1)C(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=XANLODOTRDAPOI-UHFFFAOYSA-N
Formula
C18H13Cl2N3O2
Mass
374.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Phenoxy compounds Anisoles Aryl ketones Methoxybenzenes Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Vinylogous halides Triazoles Heteroaromatic compounds Enones Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Aryl ketone - 1,3-dichlorobenzene - Benzoyl - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Aryl chloride - Acryloyl-group - Azole - Heteroaromatic compound - Vinylogous halide - Alpha,beta-unsaturated ketone - Enone - 1,2,4-triazole - Ketone - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available