Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1OC2=C(C[C@H]1OC(=O)NC1=CC(OC)=C(OC)C(OC)=C1)C=C(Br)C=C2
InChIKey
InChIKey=GVUMXIOEYNYCIQ-RPWUZVMVSA-N
Formula
C26H26BrNO7
Mass
544.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 3'-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
3'-O-methylated flavonoids
Alternative Parents
Flavan-3-ols Phenylcarbamic acid esters 1-benzopyrans Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aryl bromides Carbamate esters Oxacyclic compounds Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Flavan-3-ol - Flavan - Phenylcarbamic acid ester - Chromane - Benzopyran - 1-benzopyran - Methoxyaniline - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.
External Descriptors
Not available