Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC(=O)OCC1=CC=CC=C1)[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=XQEYCOOGCPBFQH-FDTYKHHJSA-N
Formula
C44H44O17S
Mass
876.88
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
Aryltetralin lignans Furanonaphthodioxoles p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Tetralins Pyranodioxins Benzyloxycarbonyls Dimethoxybenzenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers 1,3-dioxanes Oxanes Organosulfonic acid esters Monosaccharides Carbonic acid diesters Gamma butyrolactones Sulfonyls Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Benzenesulfonate ester - P-methylbenzenesulfonate - Pyranodioxin - Tetralin - Benzenesulfonate - Tosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Benzyloxycarbonyl - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Meta-dioxane - Monocyclic benzene moiety - Carbonic acid diester - Gamma butyrolactone - Monosaccharide - Benzenoid - Oxane - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Oxolane - Secondary alcohol - Carbonic acid derivative - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Alcohol - Organosulfur compound - Hydrocarbon derivative - 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