Compound Identification
SMILES
CCCCOC1=C(OC)C=C(C=C1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=DMNDGAMXJSDCIT-HZYUORQRSA-N
Formula
C31H38O13
Mass
618.632
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
Lignan glycosides Aryltetralin lignans Furanonaphthodioxoles Hexoses O-glycosyl compounds Tetralins Dimethoxybenzenes Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Oxanes Gamma butyrolactones Oxolanes Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Lignan glycoside - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monosaccharide - Oxane - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Lactone - Carboxylic acid ester - Secondary alcohol - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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