Compound Identification
SMILES
CCCCCCN1C(SCC2=CC(=O)OC3=CC(C)=C(C=C23)C(C)C)=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=LNAPSFCGQCLBGZ-UHFFFAOYSA-N
Formula
C28H32N2O3S
Mass
476.64
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 Quinazolines Cumenes Pyrimidones Pyranones and derivatives Alkylarylthioethers Heteroaromatic compounds Lactams Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diazanaphthalene - Benzopyran - 1-benzopyran - Quinazoline - Cumene - Aryl thioether - Pyranone - Alkylarylthioether - Pyrimidone - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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