Compound Identification
SMILES
OC1=C(C(=O)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)Oc2ccccc12
InChIKey
InChIKey=DIVJMFVRDQHKSS-UHFFFAOYSA-N
Formula
C21H10ClNO7
Mass
423.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 4-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
4-hydroxycoumarins
Alternative Parents
Naphthoquinones 1-benzopyrans Aryl ketones Quinones Pyranones and derivatives Vinylogous halides Alpha-chloroketones Vinylogous amides Heteroaromatic compounds Vinylogous acids Lactones Secondary carboxylic acid amides Chloroalkenes Oxacyclic compounds Vinyl chlorides Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthoquinone - 4-hydroxycoumarin - 1-benzopyran - Benzopyran - Naphthalene - Quinone - Aryl ketone - Pyranone - Benzenoid - Pyran - Alpha-chloroketone - Vinylogous amide - Vinylogous acid - Vinylogous halide - Alpha-haloketone - Heteroaromatic compound - Lactone - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
External Descriptors
Not available