Compound Identification
SMILES
OC1=C(C=C2C=C(C3=CSC(=N3)C3=CC4=CC=CC=C4OC3=O)C(=O)OC2=C1)[N+]([O-])=O
InChIKey
InChIKey=NQBUBCJNSJEBSY-UHFFFAOYSA-N
Formula
C21H10N2O7S
Mass
434.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
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 Nitroaromatic compounds Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic zwitterions Organic oxides Organopnictogen compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - C-nitro compound - Organic nitro compound - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - 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