Compound Identification
SMILES
C[C@H]([NH2+]CC1=CC(=O)OC2=C1C=CC(O)=C2C)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=QMSIHMMLWTZRMG-NSHDSACASA-O
Formula
C19H18Cl2NO3
Mass
379.26
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 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Dialkylamines Organic oxides Organopnictogen compounds Organochlorides Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1,3-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Aralkylamine - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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