Compound Identification
SMILES
COC1=C2OC(=O)C=CC2=C(N=CC2=CC=C(C=C2)[N+]([O-])=O)C2=C1OC=C2
InChIKey
InChIKey=KGOYWTIRYPAGTJ-UHFFFAOYSA-N
Formula
C19H12N2O6
Mass
364.313
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-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
8-methoxypsoralens
Alternative Parents
1-benzopyrans Benzofurans Methoxyanilines Nitrobenzenes Anisoles Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Furans Heteroaromatic compounds Lactones Shiff bases Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Nitrobenzene - Methoxyaniline - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Furan - Shiff base - Organic nitro compound - C-nitro compound - Lactone - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Ether - Organic oxoazanium - Aldimine - Organic salt - Organic oxygen compound - Imine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group.
External Descriptors
Not available