Compound Identification
SMILES
COCCOCCOCCOCCN(CCOCCOCCOCCOC)C1=CC=C(\C=C\C(=O)C2=CC=C(C=C2)C#CC2=CC(=NC(=C2)C(O)=O)C(O)=O)C=C1
InChIKey
InChIKey=RBOAHRTXCMVQSA-NTEUORMPSA-N
Formula
C42H52N2O13
Mass
792.879
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
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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
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Pyridinecarboxylic acids Styrenes Dialkylarylamines Aniline and substituted anilines Aryl ketones Benzoyl derivatives Acryloyl compounds Heteroaromatic compounds Enones Amino acids Dialkyl ethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzoyl - Styrene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl ketone - Monocyclic benzene moiety - Pyridine - Benzenoid - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Acryloyl-group - Enone - Tertiary amine - Amino acid or derivatives - Amino acid - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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