Compound Identification
SMILES
CCCC1=C(OCCN2CCCC2)C=C2OC(=O)C3=C(CCCC3)C2=C1
InChIKey
InChIKey=JPZRWEGBXYXBDL-UHFFFAOYSA-N
Formula
C22H29NO3
Mass
355.478
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 Alkyl aryl ethers N-alkylpyrrolidines Benzenoids Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Pyranone - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Pyran - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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