Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC1OC(C(O)C(O)C1O)C(O)=O)C1C2C(COC2=O)C(OC2OC3COC(C)OC3C(O)C2O)C23OC2C2=C(OCO2)C=C13
InChIKey
InChIKey=ORNONDBSDXEDFU-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
Furanonaphthodioxoles Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides O-glucuronides Hexoses Alkyl glycosides O-glycosyl compounds Pyranodioxins Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes 1,3-dioxanes Pyrans Gamma butyrolactones Dicarboxylic acids and derivatives 1,3-dioxoles Tetrahydrofurans Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Acetals Carboxylic acids Dialkyl ethers Epoxides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Linear furanonaphthodioxole - Phenolic glycoside - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Naphthofuran - Hexose monosaccharide - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Pyranodioxin - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Oxane - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Meta-dioxane - Monosaccharide - Gamma butyrolactone - Hydroxy acid - Dicarboxylic acid or derivatives - Pyran - Meta-dioxole - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - 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