Compound Identification
SMILES
COC1=C(NC(=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=HGLTWZFDNYZDIE-UHFFFAOYSA-N
Formula
C23H15ClN2O6
Mass
450.83
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
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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
Benzanilides Coumarins and derivatives 1-benzopyrans 2-halobenzoic acids and derivatives Benzamides Methoxyanilines Nitrobenzenes Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Pyranones and derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organochlorides Organic oxides Organonitrogen compounds Organic salts Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Benzanilide - Aromatic anilide - Coumarin - Benzopyran - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenoxy compound - Phenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Pyranone - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Pyran - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Organic nitro compound - C-nitro compound - Lactone - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organic zwitterion - Organonitrogen compound - Organooxygen 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