Compound Identification
SMILES
COC1=C([C@H](O)[C@@H](O)C(=C)COC(=O)CC(C)C)C2=C(C=CC(=O)O2)C=C1
InChIKey
InChIKey=RPWASDJXFDDBFQ-OALUTQOASA-N
Formula
C20H24O7
Mass
376.405
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 Fatty acid esters Alkyl aryl ethers Heteroaromatic compounds Secondary alcohols 1,2-diols 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 - Pyranone - Fatty acid ester - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic alcohol - Hydrocarbon derivative - Organooxygen 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