Compound Identification
SMILES
COC1=C2OC(=O)C=C(NC3=CC=C(Cl)C=C3)C2=C(OC)C2=C1OC=C2
InChIKey
InChIKey=XHLNVHMGLXFQEI-UHFFFAOYSA-N
Formula
C19H14ClNO5
Mass
371.77
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
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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
8-methoxypsoralens
Alternative Parents
5-methoxypsoralens 1-benzopyrans Benzofurans Aniline and substituted anilines Anisoles Pyranones and derivatives Alkyl aryl ethers Chlorobenzenes Primary aromatic amines Aryl chlorides Vinylogous amides Heteroaromatic compounds Furans Lactones Secondary amines Oxacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - 8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Phenol ether - Anisole - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Alkyl aryl ether - Pyranone - Pyran - Primary aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Furan - Lactone - Ether - Secondary amine - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - 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