Compound Identification
SMILES
O=C1OC2=C(C=C(OCC3=CC=CC=C3)C=C2)C=C1CN1CCCC1
InChIKey
InChIKey=FXXANWSDYLOLFN-UHFFFAOYSA-N
Formula
C21H21NO3
Mass
335.403
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 Phenol ethers Pyranones and derivatives Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Aralkylamine - Monocyclic benzene moiety - Pyran - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Lactone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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