Compound Identification
SMILES
CSCCC(CO)N=C(O)CC1=C(C)C2=C(OC1=O)C=C1OC(C)=C(C)C1=C2
InChIKey
InChIKey=UMAWURNQQVTHHJ-UHFFFAOYSA-N
Formula
C21H25NO5S
Mass
403.49
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 Benzenoids Furans Heteroaromatic compounds Lactones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Dialkylthioethers Oxacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Oxacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Dialkylthioether - Organic 1,3-dipolar compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Alcohol - 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