Compound Identification
SMILES
CC1(CC2CC(C)(O)C(=O)O2)OC1COC1=CC2=C(C=CC(=O)O2)C=C1
InChIKey
InChIKey=UMYAEKVHXDURJS-UHFFFAOYSA-N
Formula
C19H20O7
Mass
360.362
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 Alkyl aryl ethers Gamma butyrolactones Tertiary alcohols Oxolanes Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Epoxides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Gamma butyrolactone - Pyran - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Oxolane - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organooxygen compound - Organic oxygen compound - 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