Compound Identification
SMILES
COC1=C(NC(=O)COC2=CC=C(C=C2)[N+]([O-])=O)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=HXSHRRAKTKMUHT-UHFFFAOYSA-N
Formula
C24H18N2O7
Mass
446.415
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 Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Secondary carboxylic acid amides Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Nitrophenyl ether - Coumarin - 1-benzopyran - Benzopyran - Anilide - Methoxyaniline - Nitrobenzene - N-arylamide - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Lactone - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - 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