Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2C[C@@H](N)[C@@H]3O[C@H](C)OC[C@H]3O2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=BTKQJXHSDWNDAS-QQYDXUMVSA-N
Formula
C29H33NO11
Mass
571.579
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 Aminoglycosides Furanonaphthodioxoles Tetralins Pyranodioxins Dimethoxybenzenes Methoxyphenols Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Gamma butyrolactones Monosaccharides 1,3-dioxanes Oxanes Oxolanes Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Aminoglycoside core - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Pyranodioxin - Tetralin - M-dimethoxybenzene - Dimethoxybenzene - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Phenol - Alkyl aryl ether - Meta-dioxane - Monosaccharide - Gamma butyrolactone - Oxane - Benzenoid - Monocyclic benzene moiety - Oxolane - Amino acid or derivatives - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - 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