Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2C(COC2=O)[C@H](OC(=O)C2=CC=CC=C2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=UILRVLMYVFCLQD-DBGJTOQZSA-N
Formula
C28H24O9
Mass
504.491
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 Benzoic acid esters Dimethoxybenzenes Methoxyphenols Benzodioxoles Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Carboxylic acid esters Acetals Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Benzoate ester - Methoxyphenol - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzodioxole - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Dicarboxylic acid or derivatives - Tetrahydrofuran - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Oxacycle - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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