Compound Identification
SMILES
OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC(Br)=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=VROKAAHONRBQMU-VRJZYCAVSA-N
Formula
C16H19BrO6
Mass
387.226
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Cinnamic acid esters
- Level 5 C-cinnamoyl glycosides
-
Subclass
Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
C-cinnamoyl glycosides
Alternative Parents
Hexoses C-glycosyl compounds Styrenes Bromobenzenes Oxanes Aryl bromides Acryloyl compounds Enones Secondary alcohols 1,2-diols Ketones Oxacyclic compounds Dialkyl ethers Organic oxides Organobromides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
C-cinnamoyl glycoside - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - Styrene - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Monosaccharide - Aryl halide - Aryl bromide - Benzenoid - Oxane - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - 1,2-diol - Ketone - Secondary alcohol - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Polyol - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Alcohol - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as c-cinnamoyl glycosides. These are c-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available