Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(\CC1=CC(OC)=CC=C1)=C(\C(O)=O)C1=CC2=NON=C2C=C1
InChIKey
InChIKey=FRKIVGSAGWFXQA-BSYVCWPDSA-N
Formula
C25H20N2O6
Mass
444.443
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 Benzoxadiazoles Phenoxy compounds Anisoles Methoxybenzenes Aryl ketones Benzoyl derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Heteroaromatic compounds Furazans Enones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - Benzoxadiazole - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Furazan - Oxadiazole - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Carboxylic acid - Organoheterocyclic compound - Ether - 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