Compound Identification
SMILES
CC1=NN=NN1\C(=C/C1=CC=CC=C1)C(=O)OCC1=CC(=O)OC2=C1C=CC(O)=C2
InChIKey
InChIKey=XPSCPSFZARYGBH-NVMNQCDNSA-N
Formula
C21H16N4O5
Mass
404.382
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
Cinnamic acid esters 1-benzopyrans Alpha amino acids and derivatives Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Benzene and substituted derivatives Tetrazoles Enoate esters Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Cinnamic acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Fatty acyl - Benzenoid - Azole - Tetrazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Lactone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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