Compound Identification
SMILES
CCC1=CC2=C(C=C1)C(C[NH2+]CC1=CC(OC)=CC=C1)=CC(=O)O2
InChIKey
InChIKey=KZIJZBROGMDVQA-UHFFFAOYSA-O
Formula
C20H22NO3
Mass
324.399
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 Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Pyranones and derivatives Alkyl aryl ethers Aralkylamines Quaternary ammonium salts Heteroaromatic compounds Lactones Oxacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Pyranone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyran - Quaternary ammonium salt - Heteroaromatic compound - Lactone - Ether - Secondary aliphatic amine - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic cation - 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