Compound Identification
SMILES
CC(=O)OC1=C(CC(O)C(C)(C)O)C=C2C=CC(=O)OC2=C1
InChIKey
InChIKey=OPRXCJBCJIGNPA-UHFFFAOYSA-N
Formula
C16H18O6
Mass
306.314
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 Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Carboxylic acid esters 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Carboxylic acid ester - Lactone - 1,2-diol - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - 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