Compound Identification
SMILES
COC1=CC2=C(C=C1)C1=C(OC2=O)C(C[NH+](C)C)=C(O)C=C1
InChIKey
InChIKey=KHBSYSYYSHHKHZ-UHFFFAOYSA-O
Formula
C17H18NO4
Mass
300.333
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
Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Anisoles Pyranones and derivatives Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Quaternary ammonium salts Lactones Trialkylamines Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Isocoumarin - Benzopyran - 2-benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Lactone - Tertiary amine - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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