Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(\CC1=CC(OC)=C(OC2CCCC2)C(OC)=C1)=C(/C(O)=O)C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=WSUFPAIFBMCJSE-NFFVHWSESA-N
Formula
C31H30N2O7S
Mass
574.65
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 Dimethoxybenzenes Benzothiadiazoles Phenoxy compounds Anisoles Aryl ketones Benzoyl derivatives 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 - Dimethoxybenzene - M-dimethoxybenzene - 2,1,3-benzothiadiazole - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Azole - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Thiadiazole - Ketone - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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