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](CO)[C@@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=LBJRRIRAPSDRMM-XZNOCJFNSA-N
Formula
C26H28O12
Mass
532.498
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 O-glycosyl compounds Tetralins Pentoses Methoxyphenols Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Gamma butyrolactones Oxolanes Secondary alcohols Carboxylic acid esters Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Primary alcohols Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Lignan glycoside - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - O-glycosyl compound - Glycosyl compound - Methoxyphenol - Pentose monosaccharide - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Methoxybenzene - Phenol ether - Phenoxy compound - Anisole - Phenol - Alkyl aryl ether - Gamma butyrolactone - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxolane - Secondary alcohol - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - 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