Compound Identification
SMILES
OC(=O)COC1=CC=C(\C=C\C(=O)C2=CC=C(C=C2)N2CCOCC2)C=C1
InChIKey
InChIKey=YKONKMQQKXHXCN-XCVCLJGOSA-N
Formula
C21H21NO5
Mass
367.401
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
Phenylmorpholines Cinnamic acids and derivatives Phenoxyacetic acid derivatives Styrenes Phenoxy compounds Phenol ethers Aniline and substituted anilines Dialkylarylamines Aryl ketones Benzoyl derivatives Alkyl aryl ethers Acryloyl compounds Enones Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Phenylmorpholine - Phenoxyacetate - Benzoyl - Phenol ether - Phenoxy compound - Styrene - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Morpholine - Oxazinane - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Amino acid - Tertiary amine - Ketone - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Ether - Organoheterocyclic compound - Dialkyl ether - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen 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