Compound Identification
SMILES
OC1=CC=C(C=C1)C1=COC2=C(C=CC(OCC3=COC(=N3)C3=CC(F)=C(F)C=C3)=C2)C1=O
InChIKey
InChIKey=PCKCUVRYWBKTEA-UHFFFAOYSA-N
Formula
C25H15F2NO5
Mass
447.394
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
Phenyl-1,3-oxazoles Chromones Phenol ethers Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted oxazoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Phenyl-1,3-oxazole - Chromone - 1-benzopyran - Benzopyran - Phenol ether - 2,4-disubstituted 1,3-oxazole - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Fluorobenzene - Alkyl aryl ether - Benzenoid - Pyran - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Oxazole - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - 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