Compound Identification
SMILES
COC1CC(OC)(OC2=C1C=C(Cl)C=C2)C1=CC=C(Br)C=C1
InChIKey
InChIKey=RFPXJHFVOXGQRH-UHFFFAOYSA-N
Formula
C17H16BrClO3
Mass
383.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 4-O-methylated flavonoids
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Subclass
O-methylated flavonoids
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
O-methylated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
4-O-methylated flavonoids
Alternative Parents
2-O-methylated flavonoids Flavans 1-benzopyrans Benzylethers Ketals Bromobenzenes Aryl chlorides Aryl bromides Oxacyclic compounds Dialkyl ethers Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-methoxyflavonoid-skeleton - 4-methoxyflavonoid-skeleton - Flavan - 1-benzopyran - Chromane - Benzopyran - Benzylether - Ketal - Halobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organooxygen compound - Organic oxygen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4 atom of the flavonoid backbone.
External Descriptors
Not available