Compound Identification
SMILES
ClC1=CC=CC=C1N1CCN(CCCOC2=C3OC(=O)C=CC3=CC3=C2OC=C3)CC1
InChIKey
InChIKey=RSMQYRJDTSLFGQ-UHFFFAOYSA-N
Formula
C24H23ClN2O4
Mass
438.91
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
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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
Phenylpiperazines N-arylpiperazines 1-benzopyrans Benzofurans Dialkylarylamines Phenol ethers Aniline and substituted anilines Chlorobenzenes Pyranones and derivatives N-alkylpiperazines Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Furans Lactones Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Phenylpiperazine - N-arylpiperazine - Benzopyran - 1-benzopyran - Benzofuran - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Pyran - Furan - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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