Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(NC2=CC=C(C=C2)C(=O)\C=C\C2=CC=C(Cl)C=C2)N=C2N=CC=CC2=C1
InChIKey
InChIKey=QWCQCBWRUUSTNW-UBKPWBPPSA-N
Formula
C30H22ClN3O2
Mass
491.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
Phenylpyridines Cinnamic acids and derivatives Naphthyridines Styrenes Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Anisoles Aryl ketones Benzoyl derivatives Alkyl aryl ethers Aminopyridines and derivatives Chlorobenzenes Imidolactams Aryl chlorides Acryloyl compounds Heteroaromatic compounds Enones Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - 3-phenylpyridine - Naphthyridine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Aryl ketone - Styrene - Alkyl aryl ether - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Heteroaromatic compound - Ketone - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Organochloride - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic 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