Compound Identification
SMILES
COC1=C2OC(=O)C=CC2=C(NC(=O)C(Cl)Cl)C2=C1OC=C2
InChIKey
InChIKey=SLSOCBXPEKQYSV-UHFFFAOYSA-N
Formula
C14H9Cl2NO5
Mass
342.13
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
-
Subclass
Furanocoumarins
-
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 Methoxyanilines Benzofurans N-arylamides Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Secondary carboxylic acid amides Lactones Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Alkyl chlorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Methoxyaniline - Phenol ether - N-arylamide - Anisole - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Organic oxygen compound - 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