Compound Identification
SMILES
CN(CC1=CC=C(C=C1)C(F)(F)F)CC1=CC(=O)OC2=C1C=CC(O)=C2C
InChIKey
InChIKey=WVXUCEMTAIWSAX-UHFFFAOYSA-N
Formula
C20H18F3NO3
Mass
377.363
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Heteroaromatic compounds Lactones Trialkylamines Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Benzylamine - Phenylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Amine - Alkyl halide - 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