Compound Identification
SMILES
COC1=CC(=C2OC3(SC4=CC=CC=C4S3)C(=CC2=C1)C1=CC=CC2=CC=CC=C12)[N+]([O-])=O
InChIKey
InChIKey=WEVRSJMTQSSVQD-UHFFFAOYSA-N
Formula
C26H17NO4S2
Mass
471.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
O-methylated isoflavonoids
- Level 5 6-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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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
6-O-methylated isoflavonoids
Alternative Parents
Isoflav-3-enes 1-benzopyrans Naphthalenes Methoxyanilines Anisoles Aryl thioethers Nitroaromatic compounds Alkyl aryl ethers Monothioacetals 1,3-dithioles Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-methoxyisoflavonoid-skeleton - Isoflav-3-ene skeleton - Benzopyran - Naphthalene - 1-benzopyran - Methoxyaniline - Anisole - Aryl thioether - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Benzenoid - Monothioacetal - Dithiole - 1,3-dithiole - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C6 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available