Compound Identification
SMILES
CN1C=NC=C1C(N)(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC(Cl)=CC=C1.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]2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=SOTBQLFWPIZVIO-XXTSEDLJSA-N
Formula
C56H54Cl2N4O14
Mass
1077.96
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
Linear diarylheptanoids Aryltetralin lignans Furanonaphthodioxoles Phenylquinolines Phenylpyridines Hydroquinolones Methoxyphenols Tetralins Hydroquinolines Pyranodioxins Dimethoxybenzenes Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Pyridinones Aralkylamines Chlorobenzenes Oxanes Gamma butyrolactones 1,3-dioxanes N-substituted imidazoles Monosaccharides Aryl chlorides Heteroaromatic compounds Oxolanes Secondary alcohols 1,2-diols Lactams Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organochlorides Carbonyl compounds
Molecular Framework
Not available
Substituents
Podophyllotoxin - Linear 1,7-diphenylheptane skeleton - 1-aryltetralin lignan - Linear furanonaphthodioxole - Phenylquinoline - Naphthofuran - 4-phenylpyridine - Dihydroquinolone - Quinoline - Pyranodioxin - Tetralin - Dihydroquinoline - Dimethoxybenzene - Methoxyphenol - M-dimethoxybenzene - Benzodioxole - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Phenol - Aralkylamine - Pyridinone - Pyridine - Benzenoid - Aryl chloride - Aryl halide - Oxane - Monocyclic benzene moiety - Meta-dioxane - Gamma butyrolactone - Monosaccharide - N-substituted imidazole - Oxolane - Azole - Imidazole - Heteroaromatic compound - Lactone - Lactam - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Acetal - Ether - Carboxylic acid derivative - Primary amine - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organochloride - Amine - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Alcohol - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen 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