Compound Identification
SMILES
COC1=C2C=COC2=CC2=C1C(N1CCOCC1)=C(C=O)C(=O)O2
InChIKey
InChIKey=DVNQPJCNXAYELO-UHFFFAOYSA-N
Formula
C17H15NO6
Mass
329.308
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 5-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
5-methoxypsoralens
Alternative Parents
1-benzopyrans Benzofurans Anisoles Dialkylarylamines Pyranones and derivatives Alkyl aryl ethers Aryl-aldehydes Morpholines Vinylogous amides Heteroaromatic compounds Furans Lactones Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Dialkylarylamine - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Pyranone - Aryl-aldehyde - Morpholine - Oxazinane - Benzenoid - Pyran - Heteroaromatic compound - Furan - Vinylogous amide - Lactone - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.
External Descriptors
Not available