Compound Identification
SMILES
NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.OC1=C(O)C=C2C(CS(O)(=O)=O)=CC(=O)OC2=C1
InChIKey
InChIKey=CMUDYNHBDPWZJI-UHFFFAOYSA-N
Formula
C19H24N6O9S
Mass
512.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 6,7-dihydroxycoumarins
-
Subclass
Hydroxycoumarins
-
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
6,7-dihydroxycoumarins
Alternative Parents
7-hydroxycoumarins Xanthines 1-benzopyrans 6-oxopurines Alkaloids and derivatives Pyrimidones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Imidazoles Ureas Lactones Lactams Oxacyclic compounds Azacyclic compounds Monoalkylamines Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
6,7-dihydroxycoumarin - 7-hydroxycoumarin - Xanthine - 6-oxopurine - Benzopyran - Purinone - 1-benzopyran - Imidazopyrimidine - Purine - Alkaloid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyrimidone - Pyran - Pyrimidine - Benzenoid - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Urea - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6,7-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively.
External Descriptors
Not available