Compound Identification
SMILES
COC1=C2C=COC2=C(C2=C1C=CC(=O)O2)[N+]([O-])=O
InChIKey
InChIKey=QXCHVGQTFZHJQC-UHFFFAOYSA-N
Formula
C12H7NO6
Mass
261.189
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 5-methoxypsoralens
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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
5-methoxypsoralens
Alternative Parents
1-benzopyrans Benzofurans Methoxyanilines Anisoles Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Furans Heteroaromatic compounds Lactones Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Methoxyaniline - Anisole - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Furan - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Oxacycle - Organic 1,3-dipolar compound - Organic salt - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.
External Descriptors
Not available