Compound Identification
SMILES
Cl.COC1=C2OC(=O)C=CC2=C(CN(C)CCO)C2=C1OC=C2
InChIKey
InChIKey=ONSKIWLJEMJKED-UHFFFAOYSA-N
Formula
C16H18ClNO5
Mass
339.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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 Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Aralkylamines Heteroaromatic compounds Furans Trialkylamines 1,2-aminoalcohols Lactones Oxacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Alkyl aryl ether - Pyranone - Aralkylamine - Benzenoid - Pyran - Heteroaromatic compound - Furan - 1,2-aminoalcohol - Lactone - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Ether - Alkanolamine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - 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