Compound Identification
SMILES
COC1=CC2=C(C=C1)C(COC(=O)C1=CC3=CC=CC=C3S1)=CC(=O)O2
InChIKey
InChIKey=NGSKRYXXVRILJR-UHFFFAOYSA-N
Formula
C20H14O5S
Mass
366.39
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 1-benzothiophenes Thiophene carboxylic acids and derivatives Anisoles 2,3,5-trisubstituted thiophenes Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1-benzothiophene - Benzothiophene - Anisole - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Lactone - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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