Compound Identification
SMILES
OC1=C(C=C2OC(=O)C=C(CNC3=CC=CC(=C3)C(F)(F)F)C2=C1)C1=CC=CC=C1
InChIKey
InChIKey=DASIQCNZGQAZHA-UHFFFAOYSA-N
Formula
C23H16F3NO3
Mass
411.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
- Subclass Hydroxycoumarins
-
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
Hydroxycoumarins
Alternative Parents
Trifluoromethylbenzenes 1-benzopyrans Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxycoumarin - Benzopyran - 1-benzopyran - Trifluoromethylbenzene - Aniline or substituted anilines - Phenylalkylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Secondary amine - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
External Descriptors
Not available