Compound Identification
SMILES
CCC(C)C(=O)O[C@@H]([C@H](O)C1=C(OC)C=C2OC(=O)C=CC2=C1)C(C)(C)O
InChIKey
InChIKey=LEQFGQJFFOQFOZ-CIAGWNDSSA-N
Formula
C20H26O7
Mass
378.421
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 Anisoles Pyranones and derivatives Alkyl aryl ethers Fatty acid esters Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Pyranone - Fatty acyl - Pyran - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Ether - Organic oxide - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic 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