Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(\C=N\N1C=NC3=C(C4=C(CCCC4)S3)C1=O)C(=O)O2
InChIKey
InChIKey=ZBQNVMUOIPRIFJ-LGJNPRDNSA-N
Formula
C24H24N4O3S
Mass
448.54
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 Thienopyrimidines Dialkylarylamines Pyrimidones Pyranones and derivatives Benzenoids Thiophenes Heteroaromatic compounds Lactones Lactams Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Thienopyrimidine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Pyrimidone - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Lactone - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - 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