Compound Identification
SMILES
[Na+].CCCCCCN(CCCCCC)C1=CC2=C(C=C1)C1=C(C(=O)O2)C(=O)C(\C=C\C2=[N+](CCCS([O-])(=O)=O)C3=C(C=C(C=C3)S([O-])(=O)=O)C2(C)CCCC(O)=O)C(=O)O1
InChIKey
InChIKey=LSSJJPLTDHDEDC-KPJFUTMLSA-M
Formula
C42H51N2NaO13S2
Mass
878.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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 Medium-chain fatty acids Pyranones and derivatives 1,3-dicarbonyl compounds Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Sulfonyls Organosulfonic acids Alkanesulfonic acids Carboxylic acid esters Amino acids Lactones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic sodium salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarino-gamma-pyrone - Pyranocoumarin - Angular pyranocoumarin - Benzopyran - 1-benzopyran - 3-alkylindole - Indole or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Medium-chain fatty acid - Aryl ketone - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Pyranone - 1,3-dicarbonyl compound - Pyran - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Organosulfonic acid or derivatives - Alkanesulfonic acid - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Lactone - Ketone - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Tertiary amine - Organic alkali metal salt - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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