Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)C(=CC1=CC=C(Cl)C=C1)C1=NC2=CC=CC=C2O1
InChIKey
InChIKey=BNCCOTVXLZZPAN-UHFFFAOYSA-N
Formula
C25H20ClNO5
Mass
449.89
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
Cinnamic acids and derivatives Benzoxazoles Phenoxy compounds Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Oxazoles Enones Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzoxazole - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl ketone - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Oxazole - Heteroaromatic compound - Azole - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen 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