Compound Identification
SMILES
[Cl-].COC1=C2OC(=O)C=CC2=C(C[N+](C)(C)C)C2=C1OC=C2
InChIKey
InChIKey=YPTFGKOPDLNCLQ-UHFFFAOYSA-M
Formula
C16H18ClNO4
Mass
323.77
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 Anisoles Pyranones and derivatives Alkyl aryl ethers Aralkylamines Tetraalkylammonium salts Furans Heteroaromatic compounds Lactones Oxacyclic compounds Organic chloride salts Organic oxides Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Alkyl aryl ether - Aralkylamine - Pyranone - Pyran - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Furan - Quaternary ammonium salt - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic salt - Organic zwitterion - 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