Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)C1=COC2=C(C=CC(OCC3=C(C)N=C(S3)C3=CC=C(C=C3)C(F)(F)F)=C2)C1=O
InChIKey
InChIKey=GKIIYMRXUSLEFZ-UHFFFAOYSA-N
Formula
C30H22F3NO5S
Mass
565.56
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 Benzoic acid esters Phenol ethers 2,4,5-trisubstituted thiazoles Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Trifluoromethylbenzene - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Thiazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Alkyl fluoride - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - 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