Compound Identification
SMILES
OC1=C(Br)C2=C(C=C1)[C@H]([C@@H]1C=CC(=O)C(Br)=C1O2)C1=CC=CC=C1C([O-])=O
InChIKey
InChIKey=STNLDGRMGIALNR-NHYWBVRUSA-M
Formula
C20H11Br2O5
Mass
491.112
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavans
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavans
Alternative Parents
Xanthenes Benzoic acids O-bromophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous esters Alpha-haloketones Cyclic ketones Carboxylic acid salts Vinyl bromides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Organobromides Hydrocarbon derivatives Organic oxides Aldehydes Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - Dibenzopyran - Xanthene - Chromane - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Alpha-haloketone - Cyclic ketone - Carboxylic acid salt - Ketone - Vinyl halide - Vinyl bromide - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Bromoalkene - Monocarboxylic acid or derivatives - Haloalkene - Organoheterocyclic compound - Carbonyl group - Organobromide - Aldehyde - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
External Descriptors
Not available