Compound Identification
SMILES
CC1=CC(\C=C\C(=O)C2=CC(OCC([O-])=O)=CC=C2)=CC(C)=C1O
InChIKey
InChIKey=PFQQLJMFIJDHKN-VOTSOKGWSA-M
Formula
C19H17O5
Mass
325.341
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 Phenoxyacetic acid derivatives Aryl ketones Benzoyl derivatives m-Xylenes Styrenes Ortho cresols Phenol ethers Phenoxy compounds Alkyl aryl ethers Enones Acryloyl compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Phenoxyacetate - Phenoxy compound - Benzoyl - M-xylene - Xylene - Aryl ketone - O-cresol - Phenol ether - Styrene - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic anion - 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