Compound Identification
SMILES
COC(=O)C1=C(C)C(C#N)=C(NC(=O)C2=CC=C(C=C2)C2=CC3=CC=CC=C3OC2=O)S1
InChIKey
InChIKey=QHXPYJQCQHBMFZ-UHFFFAOYSA-N
Formula
C24H16N2O5S
Mass
444.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
Coumarins and derivatives 1-benzopyrans Benzamides Thiophene carboxylic acids and derivatives Benzoyl derivatives Pyranones and derivatives Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Lactones Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Thiophene carboxylic acid or derivatives - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Methyl ester - Thiophene - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available