Compound Identification
SMILES
C=CC(=O)OCCCCOC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=CC(=O)O2)C=C1
InChIKey
InChIKey=CESQWBQVVQLMDY-UHFFFAOYSA-N
Formula
C23H20O7
Mass
408.406
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
Phenol esters 1-benzopyrans Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Acrylic acid esters Heteroaromatic compounds Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenol ester - 1-benzopyran - Benzopyran - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Pyranone - Alkyl aryl ether - Benzenoid - Acrylic acid ester - Pyran - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Acrylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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