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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
Phenoxyacetic acid derivatives Glycosylamines 1-benzopyrans 6-oxopurines Hypoxanthines Phenol ethers Pyrimidones Pyranones and derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Monosaccharides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Oxolanes Secondary alcohols Lactones Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides Organic salts
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