Compound Identification
SMILES
CC(C)(O[C@@H]1O[C@@H](COC(=O)CC([O-])=O)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC2=C(O1)C=C1OC(=O)C=CC1=C2
InChIKey
InChIKey=WCCYTCGZOYIMHV-YAFPKGRUSA-M
Formula
C23H25O12
Mass
493.442
Taxonomic Classification
Taxonomy Tree
-
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
O-glycosyl compounds 1-benzopyrans Coumarans Alkyl aryl ethers Pyranones and derivatives Benzenoids Oxanes 1,3-dicarbonyl compounds Monosaccharides Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Carboxylic acid salts Lactones Carboxylic acids Oxacyclic compounds Polyols Acetals Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Pyranone - Dicarboxylic acid or derivatives - Monosaccharide - Benzenoid - 1,3-dicarbonyl compound - Oxane - Pyran - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid salt - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organic anion - 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