Compound Identification
SMILES
OC1=CC=C(C=C1)C1=C(OC2=C(C=C(OCC3=NOC(=N3)C3=CC(=CC=C3)C(F)(F)F)C=C2)C1=O)C(F)(F)F
InChIKey
InChIKey=RBCQQVFEINHKDD-UHFFFAOYSA-N
Formula
C26H14F6N2O5
Mass
548.397
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-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-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-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Phenyloxadiazoles Chromones Trifluoromethylbenzenes Phenol ethers Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Phenyl-1,2,4-oxadiazole - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Alkyl halide - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available