Compound Identification
SMILES
CCN1C(=O)C(SC1=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1)=C1SC2=C(C=CC(C)=C2)N1CCOC(=O)C1=CC=C(C=C1)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIKey
InChIKey=UYEFRXMOKGWQPE-UHFFFAOYSA-N
Formula
C42H29Cl6N5O5S2
Mass
960.54
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 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
Butyrophenones Benzoic acid esters Benzothiazoles Aryl ketones Aryl thioethers Benzoyl derivatives 1,3,5-triazines Heteroaromatic compounds Enones Thiazoles Vinylogous amides Acryloyl compounds Carboxylic acid esters Lactams Azacyclic compounds Organochlorides Alkyl chlorides Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retro-dihydrochalcone - Butyrophenone - Benzoate ester - Benzoic acid or derivatives - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzoyl - Aryl ketone - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Acryloyl-group - Azole - Heteroaromatic compound - Vinylogous amide - Enone - Thiazole - Ketone - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alkyl chloride - Amine - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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