Compound Identification
SMILES
COC1=CC2=C(C=C1)C(C1=CC(=C(OCCBr)C=C1)[N+]([O-])=O)=C(C1=CC=CC=C1)C(C)(C)O2
InChIKey
InChIKey=SQCNCJALOXITGF-UHFFFAOYSA-N
Formula
C26H24BrNO5
Mass
510.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
- Level 5 7-O-methylated isoflavonoids
-
Subclass
O-methylated isoflavonoids
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
7-O-methylated isoflavonoids
Alternative Parents
Isoflav-3-enes Neoflavenes Stilbenes Precocenes Nitrophenyl ethers Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic oxides Organic salts Hydrocarbon derivatives Organobromides Alkyl bromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyisoflavonoid-skeleton - Isoflav-3-ene skeleton - Neoflavene - Neoflavonoid skeleton - Precocene - Stilbene - 2,2-dimethyl-1-benzopyran - Nitrophenyl ether - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Alkyl halide - Organic salt - Organic nitrogen compound - Alkyl bromide - Organic oxygen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available