Compound Identification
SMILES
COC1=CC=C(C=C1)C(C)C(=O)C1=C(O)C=C(OC)C=C1
InChIKey
InChIKey=MSNJGHGEOPDPGD-UHFFFAOYSA-N
Formula
C17H18O4
Mass
286.327
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Alpha-methyldeoxybenzoin flavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Alpha-methyldeoxybenzoin flavonoids
Alternative Parents
Stilbenes Alkyl-phenylketones Methoxyphenols Phenylpropanes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-methyldeoxybenzoin flavonoid - Stilbene - Alkyl-phenylketone - Methoxyphenol - Phenylpropane - Phenylketone - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-methyldeoxybenzoin flavonoids. These are flavonoids with a structure based on a 1,2-diphenyl-2-propan-2-one.
External Descriptors
LIPIDMAPS (LMPK12160609) : Other Flavonoids