Compound Identification
SMILES
COCOC1=C(CCC(O)=O)C(C)=C2OC(=O)CC(C)(C)C2=C1C
InChIKey
InChIKey=AVYOBNYFPFIOLN-UHFFFAOYSA-N
Formula
C18H24O6
Mass
336.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
1-benzopyrans Dicarboxylic acids and derivatives Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Dicarboxylic acid or derivatives - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available