Compound Identification
SMILES
Cl.COC1=CC(=CC(OC)=C1O)C1C2C(COC2=O)C(OC2OC3COC(C)OC3C(O)C2N(C)C)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=PYLTTZZOZBYUEI-UHFFFAOYSA-N
Formula
C31H38ClNO12
Mass
652.09
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 Aminoglycosides Furanonaphthodioxoles Tetralins Pyranodioxins Methoxyphenols Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Oxanes Monosaccharides Gamma butyrolactones 1,3-dioxanes Tetrahydrofurans Trialkylamines Secondary alcohols Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Aminoglycoside core - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Pyranodioxin - Methoxyphenol - Benzodioxole - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Phenol - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Gamma butyrolactone - Monocyclic benzene moiety - Meta-dioxane - Tetrahydrofuran - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Lactone - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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