Compound Identification
SMILES
COC1=C(O)C=CC(CCC(=O)\C=C\CCCCCCC(O)=O)=C1
InChIKey
InChIKey=DQJSOUBSLPWBSP-SOFGYWHQSA-N
Formula
C19H26O5
Mass
334.412
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Methoxyphenols
- Level 5 Shogaols
-
Subclass
Methoxyphenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Methoxyphenols
Intermediate Tree Nodes
Not available
Direct Parent
Shogaols
Alternative Parents
Long-chain fatty acids Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Keto fatty acids Hydroxy fatty acids Alkyl aryl ethers Unsaturated fatty acids Acryloyl compounds Enones Ketones Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Shogaol - Long-chain fatty acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Hydroxy fatty acid - Alkyl aryl ether - Keto fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Monocyclic benzene moiety - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as shogaols. These are ginger derivatives containing a shogaol moiety, which consists of a benzene ring bearing a dec-4-en-3-one moiety, a methoxyphenyl group, a hydroxyl group and at positions 1, 3, and 4, respectively.
External Descriptors
Not available