Compound Identification
SMILES
NC(=O)C1=C(NC(=O)C2=CC=CC(=C2)C2=CC3=CC=CC=C3OC2=O)SC2=C1CCCC2
InChIKey
InChIKey=HEWOMNSZWFZGNU-UHFFFAOYSA-N
Formula
C25H20N2O4S
Mass
444.51
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 carboxamides Benzoyl derivatives Pyranones and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Lactones Oxacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Primary carboxylic acid amide - Lactone - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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