Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2C(COC2=O)C(OC2OC3COC(C)OC3C(O)C2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=VJJPUSNTGOMMGY-BQZFVAJISA-N
Formula
C29H32O13
Mass
588.562
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
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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 Dimethoxybenzenes Methoxyphenols Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers 1,3-dioxanes Oxanes Monosaccharides Gamma butyrolactones Oxolanes Carboxylic acid esters 1,2-diols Secondary alcohols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Pyranodioxin - Tetralin - M-dimethoxybenzene - Dimethoxybenzene - Benzodioxole - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Gamma butyrolactone - Oxane - Meta-dioxane - Oxolane - Carboxylic acid ester - Lactone - Secondary alcohol - 1,2-diol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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