Compound Identification
SMILES
COC1=C(CC(O)=O)C=C(C=C1)C(=O)\C=C\C1=CC(C)=C(O)C(C)=C1
InChIKey
InChIKey=YKTUBXXKKALIIZ-GQCTYLIASA-N
Formula
C20H20O5
Mass
340.375
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Cinnamylphenols Hydroxycinnamic acids and derivatives m-Xylenes Styrenes Phenoxy compounds Ortho cresols Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Acryloyl compounds Enones Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Phenoxy compound - O-cresol - Phenol ether - Styrene - Xylene - Methoxybenzene - Benzoyl - Aryl ketone - M-xylene - Anisole - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Carboxylic acid - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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