Compound Identification
SMILES
COC1=CC=C(\C=C\C(=O)C2=CC=C(OC3=C4C=CC(Cl)=CC4=NC=C3)C=C2)C=C1
InChIKey
InChIKey=WQSJQWTVZHMDRW-YIXHJXPBSA-N
Formula
C25H18ClNO3
Mass
415.87
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
-
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 Diarylethers Chloroquinolines Styrenes Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Aryl ketones Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Acryloyl compounds Heteroaromatic compounds Enones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Diaryl ether - Haloquinoline - Chloroquinoline - Quinoline - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Pyridine - Aryl halide - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxygen compound - 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