Compound Identification
SMILES
COC1=C(NC(=S)NC(=O)C=CC2=C(Cl)C=C(Cl)C=C2)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=PPVWADCNPQPAEV-UHFFFAOYSA-N
Formula
C26H18Cl2N2O4S
Mass
525.4
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 Cinnamic acids and derivatives Coumarins and derivatives 1-benzopyrans Methoxyanilines Anisoles Styrenes Phenoxy compounds Methoxybenzenes Dichlorobenzenes Alkyl aryl ethers Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Lactones Thioureas Oxacyclic compounds Carboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - N-acyl-phenylthiourea - Cinnamic acid or derivatives - Coumarin - N-phenylthiourea - 1-benzopyran - Benzopyran - Methoxyaniline - Phenoxy compound - Methoxybenzene - 1,3-dichlorobenzene - Anisole - Phenol ether - Styrene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Pyranone - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyran - Heteroaromatic compound - Lactone - Thiourea - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - 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