Compound Identification
SMILES
COc1cc(cc(OC)c1OC)[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)c2ccccc2)c2cc3OCOc3cc12
InChIKey
InChIKey=SBPPWJIDARICBS-HMAYGDGKSA-N
Formula
C35H36O13
Mass
664.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Oxanes Gamma butyrolactones 1,3-dioxanes Monosaccharides Tetrahydrofurans Secondary alcohols 1,2-diols Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Pyranodioxin - Tetralin - Benzodioxole - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Gamma butyrolactone - Benzenoid - Meta-dioxane - Monosaccharide - Monocyclic benzene moiety - Oxane - Tetrahydrofuran - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Ether - Acetal - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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
Not available