Compound Identification
SMILES
COC1=C2OC(=O)C(\C=N\NC3=CC=CC=C3)=C(Cl)C2=C(OC)C2=C1OC=C2
InChIKey
InChIKey=MLUSQCAVEJLDHM-LSHDLFTRSA-N
Formula
C20H15ClN2O5
Mass
398.8
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 Phenylhydrazines Anisoles Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Furans Lactones Oxacyclic compounds Hydrazones Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - 8-methoxypsoralen - 1-benzopyran - Benzopyran - Benzofuran - Anisole - Phenylhydrazine - Phenol ether - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous halide - Furan - Lactone - Hydrazone - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen 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