Compound Identification
SMILES
COC1=CC=C(CC(O)C(=O)C2=C(OC)C=C(OC)C=C2)C=C1
InChIKey
InChIKey=PQWHNGRYDDJGPN-UHFFFAOYSA-N
Formula
C18H20O5
Mass
316.353
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Alkyl-phenylketones Butyrophenones Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Acyloins Alpha-hydroxy ketones Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - M-dimethoxybenzene - Dimethoxybenzene - Phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Acyloin - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Ketone - Secondary alcohol - Ether - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
CHEBI:847 :
secondary alcohol - dimethoxybenzene - dihydrochalcones
LIPIDMAPS (LMPK12120573) :
Chalcones and dihydrochalcones
KEGG (C09774) :
dihydrochalcones - Chalcones and dihydrochalcones