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](O)[C@H]2OC(=O)C2=CC=CC=C2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=QURLDNVGFMVODY-DPWFLHMLSA-N
Formula
C36H36O14
Mass
692.67
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 Tetralins Benzoic acid esters Dimethoxybenzenes Methoxyphenols Pyranodioxins Benzodioxoles Anisoles Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers 1,3-dioxanes Monosaccharides Gamma butyrolactones Dicarboxylic acids and derivatives Oxanes Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Pyranodioxin - Methoxyphenol - Tetralin - Benzoate ester - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzodioxole - Benzoyl - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Phenol - Alkyl aryl ether - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monosaccharide - Oxane - Oxolane - Carboxylic acid ester - Lactone - Secondary alcohol - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Organic oxygen compound - Carbonyl group - Alcohol - 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