Compound Identification
SMILES
COC1=CC2=C(C=C1)C(COC(=O)C1=C(CSC3CCCCC3)C3=CC=CC=C3O1)=CC(=O)O2
InChIKey
InChIKey=BNGFFDUBXWVVBY-UHFFFAOYSA-N
Formula
C27H26O6S
Mass
478.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Furoic acid esters Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Furoic acid ester - Benzofuran - Furoic acid or derivatives - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available