Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)C2=CC3=C(OCC(=O)N3)C=C2)=C1
InChIKey
InChIKey=XJLLZOVARUINAP-GORDUTHDSA-N
Formula
C18H15NO5
Mass
325.32
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
Hydroxycinnamic acids and derivatives Benzoxazinones Methoxyphenols Benzomorpholines Styrenes Phenoxy compounds Methoxybenzenes Anisoles Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Acryloyl compounds Enones Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Benzoxazinone - Methoxyphenol - Benzomorpholine - Benzoxazine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aryl ketone - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Oxazinane - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Carboxamide group - Secondary carboxylic acid amide - Ketone - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic 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