Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC1OC(C(O)C(O)C1O)C(O)=O)C1C2C(COC2=O)C(OC2OC3COC(CO)OC3C(O)C2O)C2=C1C=C1OCOC1=C2
InChIKey
InChIKey=YPPVOTJKEBKDRK-UHFFFAOYSA-N
Formula
C35H40O20
Mass
780.685
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Lignan lactones
- Subclass Podophyllotoxins
-
Class
Lignan lactones
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Lignan lactones
Subclass
Podophyllotoxins
Intermediate Tree Nodes
Not available
Direct Parent
Podophyllotoxins
Alternative Parents
Lignan glycosides Aryltetralin lignans Furanonaphthodioxoles Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Alkyl glycosides Hexoses O-glycosyl compounds Tetralins Dimethoxybenzenes Pyranodioxins Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Beta hydroxy acids and derivatives Pyrans 1,3-dioxanes Gamma butyrolactones Oxanes Dicarboxylic acids and derivatives Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Carboxylic acids Polyols Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Lignan glycoside - 1-aryltetralin lignan - Linear furanonaphthodioxole - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Naphthofuran - Hexose monosaccharide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Dimethoxybenzene - Tetralin - M-dimethoxybenzene - Pyranodioxin - Benzodioxole - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Beta-hydroxy acid - Alkyl aryl ether - Dicarboxylic acid or derivatives - Fatty acyl - Gamma butyrolactone - Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Oxane - Monosaccharide - Pyran - Hydroxy acid - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Primary alcohol - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).
External Descriptors
Not available