Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1C2[C@H](COC2=O)[C@H](OC2OC3CO[C@H](OC3C(O)C2O)C2=CC=CS2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=KADRARWKSLBLAJ-AEFBZQCUSA-N
Formula
C33H34O13S
Mass
670.68
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
Aryltetralin lignans Furanonaphthodioxoles Tetralins Pyranodioxins Benzodioxoles Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1,3-dioxanes Oxanes Gamma butyrolactones Monosaccharides Heteroaromatic compounds Oxolanes Thiophenes Carboxylic acid esters 1,2-diols Secondary alcohols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Pyranodioxin - Tetralin - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Meta-dioxane - Monocyclic benzene moiety - Gamma butyrolactone - Monosaccharide - Oxane - Benzenoid - Thiophene - Heteroaromatic compound - Oxolane - Secondary alcohol - 1,2-diol - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Ether - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alcohol - 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