Compound Identification
SMILES
COC1=CC=C(C=C1)C1CC(O)C2=C(O1)C=CC(OC1=NC=C(C=C1)[N+]([O-])=O)=C2
InChIKey
InChIKey=RLQOHTKQKFKXMN-UHFFFAOYSA-N
Formula
C21H18N2O6
Mass
394.383
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
O-methylated flavonoids
- Level 5 4'-O-methylated flavonoids
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Subclass
O-methylated flavonoids
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Class
Flavonoids
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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
4-hydroxyflavonoids Flavan-4-ols Diarylethers 1-benzopyrans Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4-hydroxyflavonoid - Flavan-4-ol - Flavan - Diaryl ether - 1-benzopyran - Benzopyran - Chromane - Anisole - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Secondary alcohol - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Alcohol - 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