Compound Identification
SMILES
CC1=C(C=NNC(=O)CC2=CC(=O)OC3=C2C=CC(O)=C3)C=CC(=C1)N(CCCl)CCCl
InChIKey
InChIKey=WCRKUBGTWMEDDH-UHFFFAOYSA-N
Formula
C23H23Cl2N3O4
Mass
476.35
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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 Aminotoluenes Nitrogen mustard compounds Aniline and substituted anilines Dialkylarylamines Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Amino acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Alkyl chlorides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Toluene - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Alkyl chloride - Alkyl halide - Organic oxide - Amine - 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