Compound Identification
SMILES
COC1=C2OC(=O)C(C=O)=C(N3CCCC3)C2=C(OC)C2=C1OC=C2
InChIKey
InChIKey=IMKVRIDKHICFIP-UHFFFAOYSA-N
Formula
C18H17NO6
Mass
343.335
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
5-methoxypsoralens 1-benzopyrans Benzofurans Anisoles Dialkylarylamines Pyranones and derivatives Alkyl aryl ethers Aryl-aldehydes Vinylogous amides Pyrrolidines Heteroaromatic compounds Furans Lactones Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - 8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Pyranone - Aryl-aldehyde - Pyran - Benzenoid - Vinylogous amide - Pyrrolidine - Heteroaromatic compound - Furan - Tertiary amine - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Aldehyde - Organic nitrogen 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