Compound Identification
SMILES
OC1=C2OC(=O)C=CC2=C(C2=C1OC=C2)[N+]([O-])=O
InChIKey
InChIKey=JEAWWKQBMKUUAL-UHFFFAOYSA-N
Formula
C11H5NO6
Mass
247.162
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Furanocoumarins
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Level 5
Linear furanocoumarins
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Level 6
Psoralens
- Level 7 8-hydroxypsoralens
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Level 6
Psoralens
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Level 5
Linear furanocoumarins
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Subclass
Furanocoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Linear furanocoumarins - Psoralens
Direct Parent
8-hydroxypsoralens
Alternative Parents
1-benzopyrans Benzofurans Nitroaromatic compounds Pyranones and derivatives Phenols Furans Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-hydroxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Nitroaromatic compound - Phenol - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 8-hydroxypsoralens. These are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group.
External Descriptors
Not available