Compound Identification
SMILES
[O-][Cl](=O)(=O)=O.CCN(CC)C1=CC2=C(C=C1)C(C1=CC=CC=C1C(O)=O)=C1C(=O)OC3=CC(C=CC3=C1O2)=[N+](CC)CC
InChIKey
InChIKey=FHSKRPUTBKIJJS-UHFFFAOYSA-N
Formula
C31H31ClN2O9
Mass
611.04
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 Benzoic acids Benzoyl derivatives Dialkylarylamines Pyranones and derivatives Organic perchlorates Organic perchlorate salts Secondary ketimines Heteroaromatic compounds Amino acids Lactones Carboxylic acids Oxacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Benzoic acid - Tertiary aliphatic/aromatic amine - Benzoyl - Dialkylarylamine - Pyranone - Monocyclic benzene moiety - Benzenoid - Organic perchlorate - Pyran - Organic perchlorate salt - Secondary ketimine - Heteroaromatic compound - Organic chlorate - Lactone - Amino acid or derivatives - Tertiary amine - Amino acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic salt - Organooxygen compound - Organonitrogen 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