Compound Identification
SMILES
COC1=C2C=COC2=CC2=C1C(NC1=CC=C(C)C=C1)=CC(=O)O2
InChIKey
InChIKey=OHJZOWJXINMPBR-UHFFFAOYSA-N
Formula
C19H15NO4
Mass
321.332
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 Aminotoluenes Aniline and substituted anilines Anisoles Alkyl aryl ethers Pyranones and derivatives Primary aromatic amines Heteroaromatic compounds Furans Vinylogous amides Lactones Oxacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Aminotoluene - Aniline or substituted anilines - Alkyl aryl ether - Pyranone - Toluene - Benzenoid - Monocyclic benzene moiety - Pyran - Primary aromatic amine - Vinylogous amide - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Ether - Secondary amine - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organooxygen 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