Compound Identification
SMILES
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C1=C(C2=C([H])C3=C(OC([H])=C3C([H])([H])[H])C(=C2OC1=O)C([H])([H])[H])C([H])([H])[H])C([O-])=O
InChIKey
InChIKey=AQOFRUWLFYIEOR-UHFFFAOYSA-M
Formula
C25H22NO7
Mass
448.452
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 Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty amides Benzene and substituted derivatives Heteroaromatic compounds Furans Secondary carboxylic acid amides Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - 1-benzopyran - Benzopyran - Alpha-amino acid or derivatives - Benzofuran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Fatty acyl - Benzenoid - Pyran - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Secondary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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