Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(OCC(=O)NC2=CC(Cl)=C(C=C2)C2=CC3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=GSNIFNYWTSAYCE-UHFFFAOYSA-N
Formula
C23H15ClN2O6
Mass
450.83
Taxonomic Classification
Taxonomy Tree
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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
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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 Nitrophenyl ethers 1-benzopyrans Anilides Phenoxy compounds Phenol ethers N-arylamides Nitroaromatic compounds Pyranones and derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Nitrophenyl ether - Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Pyranone - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyran - Heteroaromatic compound - Lactone - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organopnictogen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen 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