Compound Identification
SMILES
CCCCC\C=C\C(=O)C(CC1=CC(OC)=C(O)C=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=BJHQAEFMEJCZGF-ZHACJKMWSA-N
Formula
C22H32O5
Mass
376.493
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Methoxyphenols
- Level 5 Shogaols
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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
Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Beta-keto acids and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1,3-dicarbonyl compounds Enones Acryloyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Shogaol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Keto acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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