Compound Identification
SMILES
F[B-](F)(F)F.COC1=C(OC)C=C(C=C1)C1=CC(=[NH+]C2=NC=CS2)C2=CC=CC=C2O1
InChIKey
InChIKey=GOQOEJOCYREOIW-UHFFFAOYSA-O
Formula
C20H17BF4N2O3S
Mass
452.23
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
3'-O-methylated flavonoids Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers Thiazoles Secondary ketimines Heteroaromatic compounds Oxacyclic compounds Organic metalloid salts Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Secondary ketimine - Azole - Organic metalloid salt - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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