Compound Identification
SMILES
CC1=CC2=C(C(O)=C1CN1CCCCC1)C1=C(CCCC1)C(=O)O2
InChIKey
InChIKey=GANBHWZYQFKGOE-UHFFFAOYSA-N
Formula
C20H25NO3
Mass
327.424
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 Pyranones and derivatives Aralkylamines 1-hydroxy-4-unsubstituted benzenoids Piperidines Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - 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