Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1OC2=C(C=C(Br)C=C2)C(=O)[C@H]1OC(=O)NCCC1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=GTTFEICSQCCRMK-IZZNHLLZSA-N
Formula
C27H26BrNO7
Mass
556.409
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
Flavanonols Chromones Dimethoxybenzenes Phenoxy compounds Aryl alkyl ketones Anisoles Alkyl aryl ethers Aryl bromides Carbamate esters Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Flavanone - Flavanonol - Flavan - Chromone - Benzopyran - Chromane - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Carbamic acid ester - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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