Compound Identification
SMILES
COC1=C(OC)C2=C(C=C1)C=C(NC(=O)[C@]13C[C@]4(O)[C@H](S1)C=C[C@@H](O)[C@@H]4ON3)C(=O)O2
InChIKey
InChIKey=BORNJBKYDWJXSF-JKRAONCPSA-N
Formula
C20H20N2O8S
Mass
448.45
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 Alpha amino acids and derivatives Anisoles N-arylamides Pyranones and derivatives Alkyl aryl ethers 1,2-oxazinanes Thiolanes Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Lactones Azacyclic compounds N-organohydroxylamines Dialkylthioethers Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Anisole - Phenol ether - N-arylamide - Pyranone - Alkyl aryl ether - 1,2-oxazinane - Pyran - Benzenoid - Oxazinane - Thiolane - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Lactone - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - N-organohydroxylamine - Ether - Organoheterocyclic compound - Dialkylthioether - Thioether - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - 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