Compound Identification
SMILES
CC1=C(C=C2C(=O)NC(=O)N(CC3=CC=CC=C3)C2=O)C(=O)OC2=C3CCCN4CCCC(C=C12)=C34
InChIKey
InChIKey=WZMCJSCKXYQFKG-UHFFFAOYSA-N
Formula
C28H25N3O5
Mass
483.524
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 Hydroquinolines Barbituric acid derivatives Dialkylarylamines Pyranones and derivatives Aralkylamines N-acyl ureas Benzene and substituted derivatives Diazinanes Heteroaromatic compounds Dicarboximides Lactones Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Barbiturate - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-acyl urea - Pyranone - Pyrimidone - Aralkylamine - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Dicarboximide - Urea - Tertiary amine - Carbonic acid derivative - Lactone - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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