Compound Identification
SMILES
COC(=O)C1=CC=[N+](CCCOC2=C3OC=CC3=C(Br)C3=C2OC(=O)C=C3)C=C1
InChIKey
InChIKey=RSTCGSSMUSKWGT-UHFFFAOYSA-N
Formula
C21H17BrNO6
Mass
459.271
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
- 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 Pyridinecarboxylic acids Benzofurans Phenol ethers Pyranones and derivatives Alkyl aryl ethers Pyridinium derivatives Aryl bromides Furans Heteroaromatic compounds Methyl esters Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Pyridinium - Pyridine - Heteroaromatic compound - Furan - Methyl ester - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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