Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC(=O)N(C)CCN(C)C(=O)OCCC(C)(O)CC(C)=O)C1C2C(COC2=O)C(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=LQIYFCAQFNLTID-STRBMAQUSA-N
Formula
C42H54N2O18
Mass
874.89
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 Dimethoxybenzenes Pyranodioxins Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Gamma butyrolactones Beta-hydroxy ketones Monosaccharides Oxanes 1,3-dioxanes Oxolanes Tertiary alcohols Carbamate esters Carboxylic acid esters Secondary alcohols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Pyranodioxin - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Meta-dioxane - Monosaccharide - Oxane - Gamma butyrolactone - Benzenoid - Beta-hydroxy ketone - Carbamic acid ester - Tertiary alcohol - Oxolane - Secondary alcohol - Lactone - Carboxylic acid ester - Ketone - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aldehyde - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen 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