Compound Identification
SMILES
COC1=C(F)C=C(C\C(C(=O)C2=CC=C(OC(C)C)C=C2)=C(/C(O)=O)C2=CC3=NSN=C3C=C2)C=C1
InChIKey
InChIKey=ZLQNICVDHLLBOA-LKUDQCMESA-N
Formula
C27H23FN2O5S
Mass
506.55
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
Retrochalcones Cinnamic acids and derivatives Butyrophenones Benzothiadiazoles Phenoxy compounds Benzoyl derivatives Aryl ketones Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Alpha-branched alpha,beta-unsaturated ketones Enones Thiadiazoles Acryloyl compounds Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Aryl ketone - Alkyl aryl ether - Halobenzene - Fluorobenzene - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Acryloyl-group - Azole - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiadiazole - Enone - Ketone - Monocarboxylic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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