Compound Identification
SMILES
COC1=C2OC(=O)C(\C=N\NC3=C(C=C(C=C3)[N+]([O-])=O)[N+]([O-])=O)=C(Cl)C2=C(OC)C2=C1OC=C2
InChIKey
InChIKey=OEPHLEBZTDGJIW-GZIVZEMBSA-N
Formula
C20H13ClN4O9
Mass
488.79
Taxonomic Classification
Taxonomy Tree
-
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
5-methoxypsoralens 1-benzopyrans Benzofurans Nitrobenzenes Anisoles Nitroaromatic compounds Phenylhydrazines Alkyl aryl ethers Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Furans Vinylogous halides Lactones Organic oxoazanium compounds Hydrazones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - 8-methoxypsoralen - 1-benzopyran - Benzopyran - Nitrobenzene - Benzofuran - Nitroaromatic compound - Anisole - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Furan - Lactone - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organochloride - 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