Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC1OC(C(O)C(O)C1O)C(O)=O)C1C2C(C(O)OC2=O)C(OC2OC3COC(C)OC3C(O)C2O)C2=C1C=C1OCOC1=C2
InChIKey
InChIKey=XUTVJBRTRBHLHR-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 Hexoses Alkyl glycosides O-glycosyl compounds Tetralins Dimethoxybenzenes Pyranodioxins Benzodioxoles Phenoxy compounds Anisoles Beta hydroxy acids and derivatives Alkyl aryl ethers Gamma butyrolactones Pyrans 1,3-dioxanes Oxanes Dicarboxylic acids and derivatives Tetrahydrofurans Secondary alcohols Hemiacetals Carboxylic acid esters Acetals Oxacyclic compounds Carboxylic acids Polyols Hydrocarbon derivatives 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 - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Dimethoxybenzene - Tetralin - M-dimethoxybenzene - Pyranodioxin - Benzodioxole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Beta-hydroxy acid - Oxane - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Gamma butyrolactone - Meta-dioxane - Pyran - Hydroxy acid - Monosaccharide - Tetrahydrofuran - Lactone - Hemiacetal - Secondary alcohol - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid derivative - Carboxylic acid - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - 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