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Structure Information
Structure

Compound Identification

SMILES

[Na+].CCCC(O)=O.OC(=O)C1=CC=CC=N1.C(C1=CNC2=CC=CC=C12)C1=CNC2=CC=CC=C12.COC1=C(O)C=CC(=C1)[C@H]1OC2=C(O[C@@H]1CO)C=CC(=C2)[C@H]1OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O

InChIKey

InChIKey=AQHJNJFPIMPUKK-FQAZRZNOSA-N

Formula

C52H49N3NaO14

Mass

962.96

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Flavonolignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Flavonolignans

Alternative Parents

Molecular Framework

Not available

Substituents

Flavonolignan - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Flavanonol - Flavanone - Phenylbenzodioxane - 2-phenylbenzo-1,4-dioxane - Flavan - Chromone - Benzodioxane - Benzo-1,4-dioxane - Methoxyphenol - 3-alkylindole - 1-benzopyran - Chromane - Benzopyran - Pyridine carboxylic acid or derivatives - Indole - Indole or derivatives - Pyridine carboxylic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Substituted pyrrole - Straight chain fatty acid - Monocyclic benzene moiety - Para-dioxin - Pyridine - Fatty acyl - Fatty acid - Pyrrole - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Azacycle - Oxacycle - Ether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Organoheterocyclic compound - Primary alcohol - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Alcohol - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety.

External Descriptors

Not available

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