Compound Identification
SMILES
COC1=CC2=C(OC([O-])=C([S+](C)CCNC(=O)C3=CC(OC)=C(OC)C(OC)=C3)C2=O)C=C1
InChIKey
InChIKey=IZEJTOHIRTXEGH-UHFFFAOYSA-N
Formula
C23H25NO8S
Mass
475.51
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
Chromones Benzamides Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Chromone - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Benzamide - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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