Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@@H]1C2=CC3=C(OCO3)C=C2[C@@H](O)[C@H]2COC(=O)[C@]12F
InChIKey
InChIKey=UWVNURSSFXQFDE-CNZTYRRKSA-N
Formula
C21H19FO8
Mass
418.373
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 Methoxyphenols Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Gamma butyrolactones Tetrahydrofurans Carboxylic acid esters Secondary alcohols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Phenol - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Tetrahydrofuran - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Ether - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - 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