Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1OC2=C(C[C@H]1OC(=O)NCCC1=CC(OC)=C(OC)C=C1)C=C(Br)C=C2
InChIKey
InChIKey=SHFJXOSZOFOULS-FTJBHMTQSA-N
Formula
C27H28BrNO6
Mass
542.426
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 Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers Aryl bromides Carbamate esters Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Flavan-3-ol - Flavan - Chromane - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Ether - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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