Compound Identification
SMILES
O.[Cl-].O=C(N1CC[NH+](CC2COc3ccccc3O2)CC1)c1cc2ccccc2oc1=O
InChIKey
InChIKey=JGTMQJUZSAJLJH-UHFFFAOYSA-N
Formula
C23H25ClN2O6
Mass
460.91
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 Benzo-1,4-dioxanes Alkyl aryl ethers Pyranones and derivatives N-alkylpiperazines Benzenoids Para dioxins Tertiary carboxylic acid amides Heteroaromatic compounds Quaternary ammonium salts Lactones Trialkylamines Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - N-alkylpiperazine - 1,4-diazinane - Para-dioxin - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organopnictogen compound - Organic chloride salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - 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