Compound Identification
SMILES
CSCCC(CO)N=C(O)CC1=C(C)C2=C(OC1=O)C=C(C)C1=C2OC=C1C
InChIKey
InChIKey=XATGEUQZUMMYOK-UHFFFAOYSA-N
Formula
C21H25NO5S
Mass
403.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
- Level 5 Angular 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
Not available
Direct Parent
Angular furanocoumarins
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
Angular furanocoumarin - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Dialkylthioether - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors
Not available