Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C[C@@H]([C@H]1OC(=O)C=C1)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=WSGKZCOHNJDEOR-QUCCMNQESA-N
Formula
C21H17NO4
Mass
347.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
-
Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
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
Terpene lactones Alkyl-phenylketones Butyrophenones Monocyclic monoterpenoids Aromatic monoterpenoids Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Benzonitriles Alkyl aryl ethers Butenolides Enoate esters Lactones Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Terpene lactone - Alkyl-phenylketone - Butyrophenone - Monoterpenoid - Monocyclic monoterpenoid - P-cymene - Aromatic monoterpenoid - Phenylketone - Benzonitrile - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenol ether - Phenoxy compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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