Compound Identification
SMILES
OC(=O)C([O-])=O.COC1=C(OCC[NH+](C)C)C(C(=O)\C=C\C2=CC=C(Cl)C=C2)=C(OC)C2=C1OC=C2
InChIKey
InChIKey=PXSQUZOMPIHSLT-HCUGZAAXSA-N
Formula
C25H26ClNO9
Mass
519.93
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 Furanochalcones
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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
Furanochalcones
Alternative Parents
Cinnamic acids and derivatives Benzofurans Styrenes Anisoles Aryl ketones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Acryloyl compounds Quaternary ammonium salts Heteroaromatic compounds Enones Furans Carboxylic acid salts Trialkylamines Carboxylic acids Oxacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Not available
Substituents
Furanochalcone - Cinnamic acid or derivatives - Benzofuran - Anisole - Phenol ether - Styrene - Aryl ketone - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Quaternary ammonium salt - Acryloyl-group - Furan - Enone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as furanochalcones. These are compounds containing a furan ring fused to either ring of a chalcone moiety.
External Descriptors
Not available