Compound Identification
SMILES
CC(C)=CCC1=C(O[C@]2(O)[C@@H](CO)OC[C@H](O)[C@H]2O)C=CC2=C1OC(=O)C=C2
InChIKey
InChIKey=XILQALBPPSBECW-YDGZCJQPSA-N
Formula
C20H24O8
Mass
392.404
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 Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Lactones Hemiacetals Polyols Oxacyclic compounds Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Pyranone - Monosaccharide - Oxane - Benzenoid - Pyran - Heteroaromatic compound - Hemiacetal - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Polyol - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Primary alcohol - 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