Compound Identification
SMILES
CCSCCC(NC(=O)CC1=C(C)C2=C(OC1=O)C=C1OC=C(C)C1=C2)C(O)=O
InChIKey
InChIKey=VHATXJKTYVRTBY-UHFFFAOYSA-N
Formula
C21H23NO6S
Mass
417.48
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
N-acyl-alpha amino acids 1-benzopyrans Benzofurans Thia fatty acids Pyranones and derivatives Benzenoids Furans Heteroaromatic compounds Secondary carboxylic acid amides Lactones Sulfenyl compounds Oxacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Thia fatty acid - Fatty acyl - Pyran - Benzenoid - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactone - Sulfenyl compound - Thioether - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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