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]3CO[C@@H](C)O[C@H]3[C@H](OS(=O)(=O)C3=CC=C(C)C=C3)[C@H]2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=HDUFVBDGTGTEOH-AEUAKKDWSA-N
Formula
C36H38O15S
Mass
742.75
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
Aryltetralin lignans Furanonaphthodioxoles p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Tetralins Pyranodioxins Dimethoxybenzenes Methoxyphenols Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Organosulfonic acid esters Monosaccharides 1,3-dioxanes Oxanes Gamma butyrolactones Sulfonyls Oxolanes Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - P-methylbenzenesulfonate - Benzenesulfonate ester - Pyranodioxin - Methoxyphenol - Tetralin - Benzenesulfonate - Tosyl compound - Dimethoxybenzene - M-dimethoxybenzene - Benzenesulfonyl group - Benzodioxole - Arylsulfonic acid or derivatives - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Phenol - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Monosaccharide - Gamma butyrolactone - Benzenoid - Meta-dioxane - Oxane - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxolane - Carboxylic acid ester - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alcohol - 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