Compound Identification
SMILES
[Na+].COC1=CC=C(C=C1)C(=O)C(\CC1=CC(OC(C)C)=C(OC(C)C)C(OC(C)C)=C1)=C(\C([O-])=O)C1=CC2=NON=C2C=C1
InChIKey
InChIKey=DQJGYHNVNNVZSR-KEDMHLQRSA-M
Formula
C33H35N2NaO8
Mass
610.639
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 Aryl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Heteroaromatic compounds Enones Furazans Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic sodium salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Retro-dihydrochalcone - Cinnamic acid or derivatives - Butyrophenone - Benzoxadiazole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Furazan - Oxadiazole - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Enone - Azole - Acryloyl-group - Carboxylic acid salt - Ketone - Oxacycle - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic cation - 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