Compound Identification
SMILES
COC1=NC=CC(CC(C(=O)C2=CC(F)=C(OC(C)C)C=C2)=C(C(O)=O)C2=CC3=NSN=C3C=C2)=C1
InChIKey
InChIKey=ZQLSVSPZZCEDKV-UHFFFAOYSA-N
Formula
C26H22FN3O5S
Mass
507.54
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 Retrochalcones
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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
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Butyrophenones Benzothiadiazoles Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Alpha-branched alpha,beta-unsaturated ketones Aryl fluorides Thiadiazoles Acryloyl compounds Heteroaromatic compounds Enones Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Pyridine - Benzenoid - Heteroaromatic compound - Azole - Acryloyl-group - Enone - Thiadiazole - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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