Compound Identification
SMILES
C[NH+](CC1=CC=C(C=C1)C(F)(F)F)CC1=CC(=O)OC2=C1C=CC(O)=C2C
InChIKey
InChIKey=WVXUCEMTAIWSAX-UHFFFAOYSA-O
Formula
C20H19F3NO3
Mass
378.371
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
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Subclass
Hydroxycoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
7-hydroxycoumarins
Alternative Parents
Trifluoromethylbenzenes 1-benzopyrans Benzylamines Phenylmethylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Pyranones and derivatives Heteroaromatic compounds Quaternary ammonium salts Lactones Trialkylamines Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Benzylamine - Phenylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Monocyclic benzene moiety - Pyran - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available