Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=CC(=O)C2=CC3=C(SC4=CC=CC=C4N3)C=C2)C=C1
InChIKey
InChIKey=KRJJWCGLURUJDG-UHFFFAOYSA-N
Formula
C25H23NOS
Mass
385.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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
-
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
Phenothiazines Cinnamic acids and derivatives Diarylthioethers Phenylpropanes Styrenes Aryl ketones Primary aromatic amines 1,4-thiazines Enones Acryloyl compounds Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Phenothiazine - Cinnamic acid or derivatives - Diarylthioether - Benzothiazine - Phenylpropane - Aryl thioether - Aryl ketone - Styrene - Para-thiazine - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Organoheterocyclic compound - Azacycle - Secondary amine - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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