Compound Identification
SMILES
CCCCCCN(CCCCCC)C1=CC2=C(C=C1)C1=C(C(=O)O2)C(=O)C(\C=C\C2=[N+](CCCCC(O)=O)C3=C(C=C(C=C3)S(O)(=O)=O)C2(C)C)C(=O)O1
InChIKey
InChIKey=QAFJNEJOJGFPAS-XUTLUUPISA-O
Formula
C41H51N2O10S
Mass
763.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
- Subclass Coumarino-gamma-pyrones
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Coumarino-gamma-pyrones
Intermediate Tree Nodes
Not available
Direct Parent
Coumarino-gamma-pyrones
Alternative Parents
Angular pyranocoumarins 1-benzopyrans 3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Aryl alkyl ketones Dialkylarylamines Pyranones and derivatives Dicarboxylic acids and derivatives Benzenoids 1,3-dicarbonyl compounds Heteroaromatic compounds Sulfonyls Organosulfonic acids Lactones Carboxylic acid esters Amino acids Carboxylic acids Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarino-gamma-pyrone - Pyranocoumarin - Angular pyranocoumarin - Benzopyran - 1-benzopyran - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aryl ketone - Aryl alkyl ketone - Pyranone - Benzenoid - Dicarboxylic acid or derivatives - Pyran - 1,3-dicarbonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Amino acid or derivatives - Ketone - Lactone - Amino acid - Tertiary amine - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarino-gamma-pyrones. These are organic compounds with a structure characterized by the presence of a pyrano[3,2-c]chromene that carries two ketone groups at the 4- and 5-positions.
External Descriptors
Not available