Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@@H]2CO[P+]([O-])(OCC3=CC(=O)OC4=CC(OCC(O)=O)=C(OCC(O)=O)C=C34)O[C@H]2[C@H]1O

InChIKey

InChIKey=KEOSWMMTRYMMFP-LNGPCEFMSA-N

Formula

C24H22N5O15P

Mass

651.434

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Glycosyl compound - N-glycosyl compound - Coumarin - Phenoxyacetate - 6-oxopurine - Hypoxanthine - Benzopyran - 1-benzopyran - Imidazopyrimidine - Purine - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Pyranone - Pyrimidone - Dicarboxylic acid or derivatives - Monosaccharide - N-substituted imidazole - Benzenoid - Pyran - Pyrimidine - Vinylogous amide - Oxolane - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Lactone - Amino acid - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid - Azacycle - Ether - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

Previous Back Next