Compound Identification
SMILES
COC1=CC2=C(C=C1)C(CNC[C@@H](N1CCOCC1)C1=CC=CS1)=CC(=O)O2
InChIKey
InChIKey=HTSIALLKMUMQPZ-GOSISDBHSA-N
Formula
C21H24N2O4S
Mass
400.49
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 Alkyl aryl ethers Aralkylamines Morpholines Thiophenes Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Aralkylamine - Morpholine - Oxazinane - Pyran - Benzenoid - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Lactone - Secondary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - 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