Compound Identification
SMILES
CC1=COC2=CC3=C(C=C12)C(C)=C(CC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C([O-])=O)C(=O)O3
InChIKey
InChIKey=BJTZZEBZJSIVGA-OAQYLSRUSA-M
Formula
C26H21N2O6
Mass
457.463
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 Indolyl carboxylic acids and derivatives 1-benzopyrans 3-alkylindoles Benzofurans Pyranones and derivatives Substituted pyrroles Benzenoids Furans Heteroaromatic compounds Carboxylic acid salts Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - Benzopyran - 3-alkylindole - 1-benzopyran - Benzofuran - Indole - Indole or derivatives - Pyranone - Pyran - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Furan - Carboxamide group - Lactone - Secondary carboxylic acid amide - Carboxylic acid salt - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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