Compound Identification
SMILES
OC1=C2OC(Br)=C(Br)C2=C(Br)C2=C1OC(=O)C=C2
InChIKey
InChIKey=ZQWXCTIQPCKKPV-UHFFFAOYSA-N
Formula
C11H3Br3O4
Mass
438.853
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-hydroxypsoralens
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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-hydroxypsoralens
Alternative Parents
1-benzopyrans Benzofurans P-bromophenols Pyranones and derivatives Aryl bromides Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-hydroxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - 4-halophenol - 4-bromophenol - Pyranone - Phenol - Aryl bromide - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 8-hydroxypsoralens. These are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group.
External Descriptors
Not available