Compound Identification
SMILES
COC1=C(C=C2C=CC(=O)OC2=C1)[C@@H](OC(=O)CC(C)C)[C@H]1OC(C)(C)OC1(C)C
InChIKey
InChIKey=BXKFBVPUKIANMR-NHCUHLMSSA-N
Formula
C23H30O7
Mass
418.486
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 Ketals Fatty acid esters Alkyl aryl ethers Heteroaromatic compounds 1,3-dioxolanes Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Ketal - Alkyl aryl ether - Pyranone - Fatty acid ester - Fatty acyl - Benzenoid - Pyran - Meta-dioxolane - Heteroaromatic compound - Carboxylic acid ester - Lactone - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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