Compound Identification
SMILES
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=GTMPHDWMVMHCAS-CZIZESTLSA-O
Formula
C42H53N2O13S2
Mass
858.01
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 Heterocyclic fatty acids 1,3-dicarbonyl compounds Benzenoids Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Carboxylic acid esters Amino acids Lactones Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives 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 - Medium-chain fatty acid - Dialkylarylamine - Aryl alkyl ketone - Aryl ketone - Heterocyclic fatty acid - Pyranone - Dicarboxylic acid or derivatives - Pyran - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - Organosulfonic acid - Heteroaromatic compound - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Ketone - Lactone - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organosulfur compound - Carbonyl group - 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