Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3COC(O[C@H]3[C@H](O)[C@H]2O)C2=CC=CS2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=NRUKOCRGYNPUPR-PSZSYXFXSA-N
Formula
C32H32O13S
Mass
656.66
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
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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
Aryltetralin lignans Furanonaphthodioxoles Tetralins Pyranodioxins Dimethoxybenzenes Methoxyphenols Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers 1,3-dioxanes Oxanes Gamma butyrolactones Monosaccharides Tetrahydrofurans Heteroaromatic compounds Thiophenes Carboxylic acid esters 1,2-diols Secondary alcohols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Pyranodioxin - Tetralin - M-dimethoxybenzene - Dimethoxybenzene - Benzodioxole - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Phenol - Gamma butyrolactone - Oxane - Meta-dioxane - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Tetrahydrofuran - Heteroaromatic compound - Thiophene - Secondary alcohol - Lactone - 1,2-diol - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - 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
CHEBI:75988 : aromatic ether - phenols - beta-D-glucoside - thiophenes - monosaccharide derivative - gamma-lactone - cyclic acetal - furonaphthodioxole