Compound Identification
SMILES
CC1=C(F)C=C(NCC2=CC(=O)OC3=C2C=CC(O)=C3)C=C1
InChIKey
InChIKey=KPVDCEKPVHONMO-UHFFFAOYSA-N
Formula
C17H14FNO3
Mass
299.301
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
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
1-benzopyrans Phenylalkylamines Aminotoluenes Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Pyranone - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyran - Aryl halide - Aryl fluoride - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - 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