Compound Identification
SMILES
O=C1OC2=C(C=C(C=C2)C2=CSC=C2)C(NC2CCN(CC2)\C=C\C2=CC=CC=C2)=C1
InChIKey
InChIKey=NGAOGWXEQWQJMZ-XYOKQWHBSA-N
Formula
C26H24N2O2S
Mass
428.55
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 Styrenes Aminopiperidines Pyranones and derivatives Secondary alkylarylamines Vinylogous amides Heteroaromatic compounds Thiophenes Lactones Trialkylamines Enamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Styrene - 4-aminopiperidine - Pyranone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Lactone - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Enamine - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - 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