Compound Identification
SMILES
FC1=CC2=C(C=C1)C(=NO2)C1CCN(CCCCOC2=C3OC(=O)C=CC3=CC3=C2OC=C3)CC1
InChIKey
InChIKey=XEYZITCUBGGNTG-UHFFFAOYSA-N
Formula
C27H25FN2O5
Mass
476.504
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 Benzofurans Benzisoxazoles Phenol ethers Pyranones and derivatives Alkyl aryl ethers Aralkylamines Piperidines Aryl fluorides Isoxazoles Heteroaromatic compounds Furans Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Benzisoxazole - Benzofuran - Phenol ether - Aralkylamine - Pyranone - Alkyl aryl ether - Benzenoid - Aryl halide - Pyran - Aryl fluoride - Piperidine - Furan - Isoxazole - Heteroaromatic compound - Azole - Lactone - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - 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