Compound Identification
SMILES
CC1=C(C)C2=C(C=C1)C(CN1CCN(CC=CC3=CC=CC=C3)CC1)=CC(=O)O2
InChIKey
InChIKey=IKTNUUFNNFYTJG-UHFFFAOYSA-N
Formula
C25H28N2O2
Mass
388.511
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 Pyranones and derivatives N-alkylpiperazines Aralkylamines Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Styrene - Pyranone - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - 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