Compound Identification
SMILES
COC1=CC(OCC(N)=O)=C(\C=C\C(=O)C2=CC=C(C=C2)C(O)=O)C=C1C1=CC=CS1
InChIKey
InChIKey=VOBVIFWLLKQYMS-CMDGGOBGSA-N
Formula
C23H19NO6S
Mass
437.47
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 Benzoic acids Styrenes Anisoles Phenoxy compounds Aryl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Acryloyl compounds Thiophenes Heteroaromatic compounds Enones Primary carboxylic acid amides Carboxylic acids Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Anisole - Methoxybenzene - Aryl ketone - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Thiophene - Ketone - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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