Compound Identification
SMILES
[O-]C(=O)COC1=CC=C(\C=C\C(=O)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=PDJQHEZABUNWLJ-XVNBXDOJSA-M
Formula
C18H13O6
Mass
325.297
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
Cinnamic acids and derivatives Phenoxyacetic acid derivatives Benzodioxoles Styrenes Phenoxy compounds Phenol ethers Aryl ketones Alkyl aryl ethers Acryloyl compounds Enones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Acetals Organic oxides Aldehydes Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Phenoxyacetate - Benzodioxole - Phenoxy compound - Aryl ketone - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Carboxylic acid salt - Ketone - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Aldehyde - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic anion - 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