Compound Identification
SMILES
CCC1=CC2=C(S1)N=CN=C2SCC1=CC(=O)OC2=CC(O)=C(O)C=C12
InChIKey
InChIKey=YGOKKUZVEXLJBC-UHFFFAOYSA-N
Formula
C18H14N2O4S2
Mass
386.44
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 1-benzopyrans Thienopyrimidines 2,3,5-trisubstituted thiophenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,7-dihydroxycoumarin - 7-hydroxycoumarin - Benzopyran - 1-benzopyran - Thienopyrimidine - Aryl thioether - 2,3,5-trisubstituted thiophene - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Alkylarylthioether - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactone - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen 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