Compound Identification
SMILES
C\C(=C/COC1=CC2=C(C=C1)C(C)=C(C)C(=O)O2)C1=CC(=O)C(C)(C)O1
InChIKey
InChIKey=KLXKFACEHUDUHL-XYOKQWHBSA-N
Formula
C21H22O5
Mass
354.402
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 Phenol ethers Pyranones and derivatives Alkyl aryl ethers Furanones Vinylogous esters Heteroaromatic compounds Lactones Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - 3-furanone - Benzenoid - Pyran - Heteroaromatic compound - Dihydrofuran - Vinylogous ester - Cyclic ketone - Ketone - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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