Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C1=CC=CC=C1
InChIKey
InChIKey=KVZUFLPHFIZKJQ-UHFFFAOYSA-N
Formula
C22H13NO6
Mass
387.347
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
Nitrobenzoic acids and derivatives Coumarins and derivatives 1-benzopyrans Phenol esters Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyranones and derivatives Heteroaromatic compounds Lactones Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Nitrobenzoate - Coumarin - Benzoate ester - Benzopyran - Phenol ester - 1-benzopyran - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic cation - 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