Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC(=O)CN1CCN(C)CC1)C1C2C(COC2=O)C(OC2OC3COC(C)OC3C(OC(=O)CN3CCN(C)CC3)C2OC(=O)CN2CCN(C)CC2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=LFRIRRVUVCGFBL-UHFFFAOYSA-N
Formula
C50H68N6O16
Mass
1009.12
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 Tetracarboxylic acids and derivatives Alpha amino acid esters Tetralins Pyranodioxins Phenol esters Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers N-methylpiperazines Gamma butyrolactones 1,3-dioxanes Oxanes Monosaccharides Oxolanes Trialkylamines Carboxylic acid esters Oxacyclic compounds Acetals Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetracarboxylic acid or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Phenol ester - Tetralin - Pyranodioxin - M-dimethoxybenzene - Dimethoxybenzene - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-methylpiperazine - N-alkylpiperazine - Alkyl aryl ether - Gamma butyrolactone - Monosaccharide - Meta-dioxane - 1,4-diazinane - Oxane - Monocyclic benzene moiety - Benzenoid - Piperazine - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Tertiary amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - 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