Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC(=O)CCCN1CCN(C)CC1)[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=LJDQBMJDAFLBET-BGHSOMRESA-N
Formula
C38H48N2O14
Mass
756.802
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 Phenol esters Dimethoxybenzenes Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Fatty acid esters N-methylpiperazines 1,3-dioxanes Oxanes Dicarboxylic acids and derivatives Gamma butyrolactones Monosaccharides Oxolanes Carboxylic acid esters 1,2-diols Secondary alcohols Trialkylamines Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Phenol ester - Tetralin - Dimethoxybenzene - Pyranodioxin - M-dimethoxybenzene - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Fatty acid ester - N-methylpiperazine - N-alkylpiperazine - Alkyl aryl ether - Oxane - Gamma butyrolactone - Benzenoid - Monosaccharide - Fatty acyl - Dicarboxylic acid or derivatives - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Meta-dioxane - Oxolane - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Lactone - Tertiary amine - Secondary alcohol - Ether - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen 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