Compound Identification
SMILES
CC1(C)OC(\C=C\COC2=CC3=C(C=CC(=O)O3)C=C2)=CC1=O
InChIKey
InChIKey=BAELQMYRLYWOLC-ONEGZZNKSA-N
Formula
C18H16O5
Mass
312.321
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