Compound Identification
SMILES
ClC1=C(C=CC(NC(=S)NC(=O)C2=CC=C(Br)C=C2)=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=GMHFXUYFFKBIAG-UHFFFAOYSA-N
Formula
C23H14BrClN2O3S
Mass
513.79
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 1-benzopyrans 4-halobenzoic acids and derivatives Benzoyl derivatives Pyranones and derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Thioureas Lactones Carboxylic acids and derivatives Oxacyclic compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - N-acyl-phenylthiourea - Coumarin - N-phenylthiourea - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Benzoyl - Pyranone - Bromobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl bromide - Pyran - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Thiourea - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organobromide - 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