Compound Identification
SMILES
CC1=C2OC(=O)C(Br)=C(C)C2=CC2=C1OC(CBr)C2
InChIKey
InChIKey=NGVOTGTZYFRMFF-UHFFFAOYSA-N
Formula
C14H12Br2O3
Mass
388.055
Taxonomic Classification
Taxonomy Tree
-
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
- Level 6 Psoralens
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Level 5
Linear furanocoumarins
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Subclass
Furanocoumarins
-
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
Direct Parent
Psoralens
Alternative Parents
1-benzopyrans Coumarans Pyranones and derivatives Alkyl aryl ethers Benzenoids Aryl bromides Heteroaromatic compounds Lactones Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Coumaran - Pyranone - Alkyl aryl ether - Benzenoid - Aryl bromide - Pyran - Aryl halide - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors
Not available