Compound Identification
SMILES
[Na].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12.CCC(CC)CC(=O)C1=C(O)C2=CC(OC)=C(OC)C(OC)=C2C(C2=CC(OC)=C(OC)C=C2)=C1C(=O)OC
InChIKey
InChIKey=PNLHSHYDAQVNNG-CUSNUXNHSA-N
Formula
C53H72NaO16
Mass
988.133
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Arylnaphthalene lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Arylnaphthalene lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Arylnaphthalene lignans
Alternative Parents
Naphthalenecarboxylic acids Butyrophenones Naphthols and derivatives Dimethoxybenzenes Fatty alcohols Medium-chain hydroxy acids and derivatives Phenoxy compounds Aryl alkyl ketones Anisoles Medium-chain fatty acids Branched fatty acids Beta hydroxy acids and derivatives Fatty acid esters Phenols Hydroxy fatty acids Alkyl aryl ethers Dicarboxylic acids and derivatives Vinylogous acids Methyl esters Secondary alcohols Organic alkali metal salts Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Arylnaphthalene lignan skeleton - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Butyrophenone - 1-naphthol - O-dimethoxybenzene - Dimethoxybenzene - Naphthalene - Fatty alcohol - Medium-chain hydroxy acid - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Medium-chain fatty acid - Aryl ketone - Aryl alkyl ketone - Beta-hydroxy acid - Alkyl aryl ether - Phenol - Branched fatty acid - Fatty acid ester - Hydroxy fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Hydroxy acid - Methyl ester - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Ketone - Organic alkali metal salt - Ether - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
External Descriptors
Not available