Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CC(C1C(=O)NC(=S)NC1=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=JDFVZJCHTLEZLY-UHFFFAOYSA-N
Formula
C21H20N2O4S
Mass
396.46
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 Retro-dihydrochalcones
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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
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Butyrophenones Monocyclic monoterpenoids Aromatic monoterpenoids Thiobarbituric acid derivatives Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Toluenes Alkyl aryl ethers 1,3-dicarbonyl compounds Diazinanes Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Monocyclic monoterpenoid - Monoterpenoid - P-cymene - Aromatic monoterpenoid - Thiobarbiturate - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Toluene - Alkyl aryl ether - Benzenoid - 1,3-dicarbonyl compound - 1,3-diazinane - Monocyclic benzene moiety - Thiourea - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available