Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OC2OC3COC(C)OC3C(O)C2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=URCVASXWNJQAEH-KAYSAPKKSA-N
Formula
C35H40O19
Mass
764.686
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Lignan lactones
- Subclass Podophyllotoxins
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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 Oxolanes Secondary alcohols Carboxylic acid esters Carboxylic acids Oxacyclic compounds Polyols Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides
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 - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Pyranodioxin - Benzodioxole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Beta-hydroxy acid - Pyran - Oxane - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Hydroxy acid - Meta-dioxane - Monosaccharide - Fatty acyl - Oxolane - Lactone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen 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