Compound Identification
SMILES
BrC1=CC=C(C=CC(=O)C2=CC3=C(OCCO3)C=C2)C=C1
InChIKey
InChIKey=JTGBZIJCASWRRL-UHFFFAOYSA-N
Formula
C17H13BrO3
Mass
345.192
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
-
Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Benzo-1,4-dioxanes Styrenes Aryl ketones Bromobenzenes Alkyl aryl ethers Para dioxins Aryl bromides Enones Acryloyl compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Styrene - Aryl ketone - Alkyl aryl ether - Halobenzene - Bromobenzene - Benzenoid - Para-dioxin - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available