Compound Identification
SMILES
NC1=C(Cl)C=C(Cl)C=C1C(=O)OCC1=CC(=O)OC2=C1C=CC(O)=C2
InChIKey
InChIKey=UNZUAIFTZQHOEK-UHFFFAOYSA-N
Formula
C17H11Cl2NO5
Mass
380.18
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 3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Dichlorobenzenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Aminobenzoic acid or derivatives - Benzoate ester - Benzopyran - 1-benzopyran - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - 1,3-dichlorobenzene - Aniline or substituted anilines - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Lactone - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organonitrogen compound - Organooxygen 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