Compound Identification
SMILES
CCOC(=O)\C=C\C1=C(NCC2=CC=C(OC)C=C2)C2=CC=CC=C2OC1=O
InChIKey
InChIKey=LTJLQVVYURSWFU-OUKQBFOZSA-N
Formula
C22H21NO5
Mass
379.412
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 Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Secondary alkylarylamines Pyranones and derivatives Alkyl aryl ethers Fatty acid esters Aralkylamines Vinylogous amides Heteroaromatic compounds Enoate esters Amino acids and derivatives Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Heteroaromatic compound - Lactone - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Ether - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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