Compound Identification
SMILES
O=C([C@H](OC1=CC2=C(C=CC(=O)O2)C=C1)C1=CC=CC=C1)N1CCOCC1
InChIKey
InChIKey=KQBHRUAVTNOWJB-HXUWFJFHSA-N
Formula
C21H19NO5
Mass
365.385
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 Phenylacetamides Phenol ethers Pyranones and derivatives Alkyl aryl ethers Morpholines Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Phenylacetamide - 1-benzopyran - Phenol ether - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Morpholine - Pyran - Oxazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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