Compound Identification
SMILES
CCN1CCN(CC)C2=C1C=C1OC(=O)C(C=NCCC3=CNC4=C3C=C(O)C=C4)=C(C3=CC=CS3)C1=C2
InChIKey
InChIKey=BMAFXMLAUXKFJL-UHFFFAOYSA-N
Formula
C30H30N4O3S
Mass
526.66
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
Hydroxyindoles 3-alkylindoles 1-benzopyrans Dialkylarylamines Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Thiophenes Heteroaromatic compounds Shiff bases Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Hydroxyindole - 3-alkylindole - 1-benzopyran - Benzopyran - Indole or derivatives - Indole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Substituted pyrrole - Pyran - Heteroaromatic compound - Thiophene - Pyrrole - Tertiary amine - Shiff base - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - 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