Compound Identification
SMILES
COC1=C(NC(=S)NC(=O)C2=C(Cl)C=CC(I)=C2)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=DYTNBBRDGRZSNK-UHFFFAOYSA-N
Formula
C24H16ClIN2O4S
Mass
590.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Methoxyanilines Benzoyl derivatives Methoxybenzenes Phenoxy compounds Anisoles Chlorobenzenes Pyranones and derivatives Iodobenzenes Alkyl aryl ethers Aryl iodides Aryl chlorides Heteroaromatic compounds Vinylogous halides Thioureas Lactones Oxacyclic compounds Carboxylic acids and derivatives Organic oxides Organochlorides Organoiodides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - N-acyl-phenylthiourea - Coumarin - N-phenylthiourea - 2-halobenzoic acid or derivatives - Benzopyran - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Methoxyaniline - Phenol ether - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Pyranone - Chlorobenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous halide - Thiourea - Lactone - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organooxygen compound - Organonitrogen compound - Organoiodide - 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