Compound Identification
SMILES
COC1=CC(=O)C2=C(C(C(C)OC3=CC4=C(C=C3)C(C)=CC(=O)O4)=C(C)N2C)C1=O
InChIKey
InChIKey=QBQIBEGRXCXATA-UHFFFAOYSA-N
Formula
C23H21NO6
Mass
407.422
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 Indoles and derivatives Phenol ethers Aryl ketones Alkyl aryl ethers Pyranones and derivatives N-methylpyrroles Vinylogous esters Heteroaromatic compounds Vinylogous amides Lactones Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Indole or derivatives - Phenol ether - Aryl ketone - Alkyl aryl ether - Pyranone - N-methylpyrrole - Benzenoid - Substituted pyrrole - Pyran - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Pyrrole - Ketone - Lactone - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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