Compound Identification
SMILES
Clc1ccc(cc1)-n1cc(COc2c3occc3cc3ccc(=O)oc23)nn1
InChIKey
InChIKey=OKEZWMUIZKKMFV-UHFFFAOYSA-N
Formula
C20H12ClN3O4
Mass
393.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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 Benzofurans Pyranones and derivatives Chlorobenzenes Alkyl aryl ethers Triazoles Heteroaromatic compounds Furans Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - 1-benzopyran - Benzopyran - Benzofuran - Pyranone - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Triazole - Furan - Azole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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