Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC(=O)N(C)C1=C(O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)[N+]([O-])=O)[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]2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=GXJMKQZJNZEDKU-VTVDGJMKSA-N
Formula
C43H46N2O23
Mass
958.832
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
Lignan glycosides Aryltetralin lignans Furanonaphthodioxoles Phenolic glycosides O-glucuronides Hexoses O-glycosyl compounds Phenylcarbamic acid esters Dimethoxybenzenes Pyranodioxins Tetralins Benzodioxoles Nitrobenzenes Anisoles Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Dicarboxylic acids and derivatives Gamma butyrolactones Pyrans 1,3-dioxanes Oxolanes Carbamate esters Carboxylic acid esters Secondary alcohols Organic oxoazanium compounds Carboxylic acids Acetals Oxacyclic compounds Polyols Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Lignan glycoside - 1-aryltetralin lignan - Linear furanonaphthodioxole - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Naphthofuran - Hexose monosaccharide - Phenylcarbamic acid ester - Glycosyl compound - O-glycosyl compound - Pyranodioxin - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Benzodioxole - Nitrobenzene - Phenol ether - Anisole - Nitroaromatic compound - Methoxybenzene - Phenoxy compound - Beta-hydroxy acid - Alkyl aryl ether - Meta-dioxane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Hydroxy acid - Monosaccharide - Benzenoid - Oxane - Pyran - Oxolane - Carbamic acid ester - Carboxylic acid ester - Organic nitro compound - Lactone - C-nitro compound - Secondary alcohol - Polyol - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Acetal - Carboxylic acid derivative - Ether - Organic oxoazanium - Carboxylic acid - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organic salt - 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