Compound Identification
SMILES
CC1=C(C)C2=C(O1)C(C)=C1OC(=O)C(CC(=O)NC[C@H](O)C3=CC=CC=C3)=C(C)C1=C2
InChIKey
InChIKey=NSPJXUINOIQFDV-NRFANRHFSA-N
Formula
C25H25NO5
Mass
419.477
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 Pyranones and derivatives Benzene and substituted derivatives Furans Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Lactones Oxacyclic compounds Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Furan - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic alcohol - 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