Compound Identification
SMILES
COC1=CC(OC)=C2C(C)=C(CC(=O)N3CCC[C@H](C3)C([O-])=O)C(=O)OC2=C1
InChIKey
InChIKey=CCXXUEUUELNCLI-GFCCVEGCSA-M
Formula
C20H22NO7
Mass
388.397
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 Piperidinecarboxylic acids N-acylpiperidines Anisoles Pyranones and derivatives Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids Lactones Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - N-acyl-piperidine - Piperidinecarboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Piperidine - Pyran - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Lactone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic anion - 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