Compound Identification
SMILES
COC1=CC(\C=C(/C(C)C)C(=O)C2=CC(OC)=C(N)C=C2)=CC2=C1OCO2
InChIKey
InChIKey=HMVLICKXUXEWOM-VIZOYTHASA-N
Formula
C21H23NO5
Mass
369.417
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 Butyrophenones Aminophenyl ethers Benzodioxoles Methoxyanilines Methoxybenzenes Phenoxy compounds Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Primary aromatic amines Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Acetals Oxacyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Butyrophenone - Benzodioxole - Aminophenyl ether - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Ether - Oxacycle - Organoheterocyclic compound - Acetal - Organonitrogen compound - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Primary amine - 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