Compound Identification
SMILES
CC1=C(COC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=IJKBDDMBAHSXDV-UHFFFAOYSA-N
Formula
C27H18F3NO4S
Mass
509.5
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
Chromones Trifluoromethylbenzenes Phenol ethers 2,4,5-trisubstituted thiazoles 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 - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - 2,4,5-trisubstituted 1,3-thiazole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Alkyl halide - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl fluoride - 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