Compound Identification
SMILES
COC1=CC=C(C=C1)C1OC2=CC=CC=C2C2=NC3=C(SC(C12)C1=CC=C(OC)C=C1)C=C(C)C=C3
InChIKey
InChIKey=NXYCWHRRVUFNPX-UHFFFAOYSA-N
Formula
C31H27NO3S
Mass
493.62
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
Flavans Benzothiazepines 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkylarylthioethers Alkyl aryl ethers Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyflavonoid-skeleton - Flavan - Benzothiazepine - Chromane - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ketimine - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Thioether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Imine - Organonitrogen compound - 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