Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)B1OCC(C)(C)CO1
InChIKey
InChIKey=GHNBZXSJUXQXAW-UHFFFAOYSA-N
Formula
C15H17BO4
Mass
272.11
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 Benzenoids Heteroaromatic compounds Boronic acid esters Lactones Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Boronic acid ester - Lactone - Boronic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Organic oxide - 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