Compound Identification
SMILES
[Na+].CCCCCCN(CCCCCC)C1=CC2=C(C=C1)C1=C(C(=O)O2)C(=O)C(\C=C\C=C\C2=C3C=CC(C=C3OC(=C2)C(C)(C)C)=[N+](CCCS([O-])(=O)=O)CCCS([O-])(=O)=O)C(=O)O1
InChIKey
InChIKey=XVJXOSWGDSUKFM-VIWUVAGBSA-M
Formula
C47H59N2NaO12S2
Mass
931.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
- Subclass Coumarino-gamma-pyrones
-
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 Aryl alkyl ketones Dialkylarylamines Pyranones and derivatives Benzenoids 1,3-dicarbonyl compounds Sulfonyls Secondary ketimines Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Carboxylic acid esters Amino acids and derivatives Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarino-gamma-pyrone - Pyranocoumarin - Angular pyranocoumarin - Benzopyran - 1-benzopyran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aryl ketone - Pyranone - Pyran - 1,3-dicarbonyl compound - Benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Alkanesulfonic acid - Secondary ketimine - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Tertiary amine - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organic sodium salt - Hydrocarbon derivative - Organic salt - Carbonyl group - 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