Compound Identification
SMILES
CC1=CC=C(S[C@@H]([C@@H](CN2C=NC=N2)C(=O)C2=CC=C(Br)C=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=FRYQDDYCEDXJMK-UKILVPOCSA-N
Formula
C25H22BrN3OS
Mass
492.44
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
-
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 Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Toluenes Alkylarylthioethers Bromobenzenes Aryl bromides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Aryl thioether - Benzoyl - Thiophenol ether - Aryl alkyl ketone - Aryl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Ketone - Organoheterocyclic compound - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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