Compound Identification
SMILES
C[C@H](NCC1=CC(=O)OC2=C1C=CC(O)=C2C)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=QMSIHMMLWTZRMG-NSHDSACASA-N
Formula
C19H17Cl2NO3
Mass
378.25
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
1-benzopyrans Dichlorobenzenes Pyranones and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Dialkylamines Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1,3-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Pyranone - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Secondary amine - Oxacycle - Secondary aliphatic amine - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organochloride - 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