Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NN=C(O1)SCC1=CC(=O)OC2=CC(C)=C(C=C12)C(C)C
InChIKey
InChIKey=KAQFJNJSNWOXNP-UHFFFAOYSA-N
Formula
C23H22N2O4S
Mass
422.5
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 Cumenes Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Alkylarylthioethers 1,3,4-oxadiazoles Heteroaromatic compounds Lactones Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Cumene - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - 1,3,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Lactone - Azacycle - Ether - Organoheterocyclic compound - Oxacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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