Compound Identification
SMILES
CC1=C(O)C=CC2=C1OC(=O)C=C2CSC1=NNC(=O)N1C[C@@H]1CCCO1
InChIKey
InChIKey=FQVNEGOECBIMLR-LBPRGKRZSA-N
Formula
C18H19N3O5S
Mass
389.43
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
1-benzopyrans Pyranones and derivatives Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Triazoles Oxolanes Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Alkylarylthioether - Benzenoid - Pyran - Azole - Heteroaromatic compound - Oxolane - 1,2,4-triazole - Lactone - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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