Compound Identification
SMILES
[Br-].CCC1=CC=[N+](CC2CC3=C(O2)C(C)=C2OC(=O)C=C(C)C2=C3)C=C1
InChIKey
InChIKey=IHPCTJVQZOLCGR-UHFFFAOYSA-M
Formula
C21H22BrNO3
Mass
416.315
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
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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
Direct Parent
Psoralens
Alternative Parents
1-benzopyrans Coumarans Pyranones and derivatives Alkyl aryl ethers Pyridinium derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Pyridinium - Pyridine - Heteroaromatic compound - Lactone - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic bromide salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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