Compound Identification
SMILES
CC1=CC2=C(C=C1)C=C(CC(O)(CCC1=CC=C(OCCCN3CCCCC3)C=C1)C(N)=O)C(=O)O2
InChIKey
InChIKey=GJTWAQORHIABCF-UHFFFAOYSA-N
Formula
C29H36N2O5
Mass
492.616
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 Phenoxy compounds Phenol ethers Pyranones and derivatives Alkyl aryl ethers Piperidines Fatty amides Tertiary alcohols Heteroaromatic compounds Trialkylamines Primary carboxylic acid amides Lactones Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Piperidine - Benzenoid - Pyran - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxamide group - Lactone - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen 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