Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1OCC1=CN(CC(O)COC2=C(C)C(=O)SC2C)N=N1
InChIKey
InChIKey=ZROKFBGFJQVEAA-JLHYYAGUSA-N
Formula
C28H29N3O6S
Mass
535.62
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
-
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 Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers Heteroaromatic compounds Enones Dihydrothiophenes Vinylogous esters Carbothioic S-lactones Acryloyl compounds Triazoles Secondary alcohols Thioesters Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Styrene - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - 2,5-dihydrothiophene - Enone - 1,2,3-triazole - Vinylogous ester - Carbothioic s-lactone - Alpha,beta-unsaturated ketone - Thiocarboxylic acid ester - Secondary alcohol - Ketone - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic 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