Compound Identification
SMILES
O=C1OC(=O)C2=C(OC3=CC=CC=C3)C=C3C(=O)OC(=O)C4=C(OC5=CC=CC=C5)C=C1C2=C34
InChIKey
InChIKey=NLDUHJQCKDWCPH-UHFFFAOYSA-N
Formula
C26H12O8
Mass
452.374
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
Diarylethers Naphthalenes 2-benzopyrans Phenoxy compounds Phenol ethers Pyranones and derivatives Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Isocoumarin - Benzopyran - Naphthalene - 2-benzopyran - Phenoxy compound - Phenol ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous ester - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available