Compound Identification
SMILES
ClC1=C(C=CC(NC(=S)NC(=O)C2=CC(I)=CC=C2)=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=HVQDUINCMIULBV-UHFFFAOYSA-N
Formula
C23H14ClIN2O3S
Mass
560.79
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
N-acyl-phenylthioureas Coumarins and derivatives 3-halobenzoic acids and derivatives 1-benzopyrans Benzoyl derivatives Iodobenzenes Fatty acid esters Dihydropyranones Chlorobenzenes N-acyl amines Heteroaromatic compounds Enol esters Enoate esters Lactones Vinyl iodides Vinyl chlorides Oxacyclic compounds Iodoalkenes Chloroalkenes Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - N-acyl-phenylthiourea - Coumarin - 1-benzopyran - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzopyran - Benzoic acid or derivatives - Benzoyl - Pyranone - Iodobenzene - Halobenzene - Fatty acid ester - Dihydropyranone - Chlorobenzene - Fatty acyl - Benzenoid - Pyran - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Lactone - Carboxylic acid ester - Oxacycle - Iodoalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen 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