Compound Identification
SMILES
[O-][N+](=O)C1=CC(CC2=CC=CC=C2)=C\C(=C/NC2=CC=C(C=C2)C2=CC3=CC=CC=C3OC2=O)C1=O
InChIKey
InChIKey=AHVMUKHQAYTQPF-PTGBLXJZSA-N
Formula
C29H20N2O5
Mass
476.488
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
Coumarins and derivatives 1-benzopyrans Aniline and substituted anilines O-quinomethanes Pyranones and derivatives Vinylogous amides Heteroaromatic compounds C-nitro compounds Lactones Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Allylamines Secondary amines Enamines Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - O-quinomethane - Quinomethane - Aniline or substituted anilines - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - Ketone - Lactone - C-nitro compound - Cyclic ketone - Allylamine - Oxacycle - Enamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Aldehyde - Organic nitrogen compound - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxide - Organic zwitterion - 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