Compound Identification
SMILES
COC1=CC(C\C(C(=O)C2=CC(C)=C(OC)C=C2)=C(\C(O)=O)C2=CC3=NSN=C3C=C2)=CC(OC)=C1OC
InChIKey
InChIKey=VPKUTWDKTKEOSB-PLRJNAJWSA-N
Formula
C28H26N2O7S
Mass
534.58
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
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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
Retro-dihydrochalcones
Alternative Parents
Retrochalcones Cinnamic acids and derivatives Butyrophenones Benzothiadiazoles Phenoxy compounds Methoxybenzenes Anisoles Aryl ketones Benzoyl derivatives Toluenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Thiadiazoles Acryloyl compounds Heteroaromatic compounds Enones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - 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 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