Compound Identification
SMILES
COC1=CC(OC)=C(C=C1)C(=O)\C=C\C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=XMQLRMQKCIIQEY-XVNBXDOJSA-N
Formula
C18H16O5
Mass
312.321
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Dimethoxybenzenes Benzodioxoles Styrenes Phenoxy compounds Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Enones Acryloyl compounds Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Methoxybenzene - Anisole - Benzoyl - Phenoxy compound - Aryl ketone - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
LIPIDMAPS (LMPK12120117) : Chalcones and dihydrochalcones