Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1N=C2C=CC(NC(=O)C3=CC=CC(=C3)C3=CC4=CC=CC=C4OC3=O)=CC2=N1
InChIKey
InChIKey=CNQZCUONJFRGPH-UHFFFAOYSA-N
Formula
C30H22N4O4
Mass
502.53
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
Phenyl-1,2,3-triazoles Coumarins and derivatives 1-benzopyrans Benzamides Benzotriazoles Phenoxy compounds Phenol ethers Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Phenyl-1,2,3-triazole - Phenyltriazole - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzotriazole - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Carboxamide group - Secondary carboxylic acid amide - Lactone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - 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