Compound Identification
SMILES
[Na+].CCCC1=C(NC2=CC=CC3=C2OC[C@H]3NC2=CC3=C(C=C2)[C@H](CC([O-])=O)CO3)N=CC=C1
InChIKey
InChIKey=IHBFXHKLMBAYCQ-ZSYABCMZSA-M
Formula
C26H26N3NaO4
Mass
467.501
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
Secondary alkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Benzenoids Imidolactams Heteroaromatic compounds Amino acids Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - Alkyl aryl ether - Aminopyridine - Secondary aliphatic/aromatic amine - Aralkylamine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Secondary amine - Organic alkali metal salt - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic salt - Organic sodium salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available