Compound Identification
SMILES
[H][C@]12COC(=O)[C@@]1([H])[C@]([H])(C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@]2([H])O[C@@]1([H])O[C@@]([H])(CO[C@@]2([H])O[C@@]([H])(CO)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChIKey
InChIKey=XHMZLRFGDPKVBR-OEOHJQQPSA-N
Formula
C34H42O18
Mass
738.692
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 Disaccharides O-glycosyl compounds Tetralins Benzodioxoles Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Gamma butyrolactones Oxanes Tetrahydrofurans Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Lignan glycoside - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - O-glycosyl compound - Glycosyl compound - Disaccharide - Tetralin - Benzodioxole - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Gamma butyrolactone - Monocyclic benzene moiety - Oxane - Benzenoid - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Lactone - Ether - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Oxacycle - Polyol - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary alcohol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen 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