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)C)C(=O)O1
InChIKey
InChIKey=NJCXMYYXJXWCSI-HTXNQAPBSA-O
Formula
C39H49N2O11S2
Mass
785.94
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 Dialkylarylamines Aryl alkyl ketones Pyranones and derivatives 1,3-dicarbonyl compounds Benzenoids Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Lactones Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic 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 - Dialkylarylamine - Aryl ketone - Aryl alkyl ketone - Pyranone - 1,3-dicarbonyl compound - Benzenoid - Pyran - Alkanesulfonic acid - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - 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