Compound Identification
SMILES
[Br-].CC1=C2OC(=O)C(=C(C)C2=CC2=C1OC(C[N+]1=CC=CC3=CC=CC=C13)C2)[N+]([O-])=O
InChIKey
InChIKey=UONPXADCGQRJEC-UHFFFAOYSA-M
Formula
C23H19BrN2O5
Mass
483.318
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
Quinolines and derivatives 1-benzopyrans Coumarans Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Pyridinium derivatives Benzenoids Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic bromide salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - Quinoline - 1-benzopyran - Coumaran - Nitroaromatic compound - Alkyl aryl ether - Pyranone - Pyran - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic bromide salt - Organic oxide - Organic salt - Hydrocarbon derivative - Organonitrogen 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