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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Flavonolignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Flavonolignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Flavonolignans
Alternative Parents
3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavanonols Phenylbenzo-1,4-dioxanes Chromones 3-alkylindoles Benzo-1,4-dioxanes Methoxyphenols Pyridinecarboxylic acids Anisoles Aryl alkyl ketones Phenoxy compounds Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Para dioxins Substituted pyrroles Straight chain fatty acids Heteroaromatic compounds Vinylogous acids Secondary alcohols Organic alkali metal salts Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organonitrogen compounds Organic cations
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