Compound Identification
SMILES
COC1=C2C=COC2=CC2=C1C(N)=CC(=O)O2
InChIKey
InChIKey=RHZBYXYCULJSGY-UHFFFAOYSA-N
Formula
C12H9NO4
Mass
231.207
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 Pyranones and derivatives Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Furans Lactones Oxacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Vinylogous amide - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - 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