Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CCN(CCCOC2=C3OC(=O)C=CC3=CC3=C2OC=C3)CC1
InChIKey
InChIKey=TZNSPDDUVKVKLT-UHFFFAOYSA-N
Formula
C26H26N2O5
Mass
446.503
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
Alkyl-phenylketones Phenylpiperazines N-arylpiperazines 1-benzopyrans Acetophenones Benzofurans Phenol ethers Aniline and substituted anilines Aryl alkyl ketones Dialkylarylamines Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers N-alkylpiperazines Heteroaromatic compounds Furans Trialkylamines Lactones Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Benzopyran - 1-benzopyran - Acetophenone - Benzofuran - Phenylketone - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Piperazine - 1,4-diazinane - Heteroaromatic compound - Furan - Tertiary aliphatic amine - Tertiary amine - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Azacycle - Ether - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen 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