Compound Identification
SMILES
CCOC1=CC(=CC(OCC)=C1OCC)C(=O)NC1=NC(=CS1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=ZLCHQSUVBUHYRZ-UHFFFAOYSA-N
Formula
C25H24N2O6S
Mass
480.54
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 Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Pyranones and derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Thiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Lactone - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - 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