Compound Identification
SMILES
CC(C)C1=C(C)C=C2OC(=O)C=C(COC(=O)C3=CC=CC=C3NCC3=CC=CO3)C2=C1
InChIKey
InChIKey=YBYNQJXTQRPBHB-UHFFFAOYSA-N
Formula
C26H25NO5
Mass
431.488
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 Aminobenzoic acids and derivatives Benzoic acid esters Cumenes Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Pyranones and derivatives Vinylogous amides Furans Heteroaromatic compounds Carboxylic acid esters Lactones Amino acids and derivatives Oxacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Aminobenzoic acid or derivatives - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Cumene - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aralkylamine - Pyranone - Secondary aliphatic/aromatic amine - Pyran - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Furan - Heteroaromatic compound - Amino acid or derivatives - Lactone - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen 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