Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2C(COC2=O)[C@H](OCC2OC(C)(C)OC2CO)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=JTRMCKOJSVTZDF-KMWVBSOHSA-N
Formula
C28H32O11
Mass
544.553
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 Phenoxy compounds Anisoles Alkyl aryl ethers Ketals Gamma butyrolactones 1,3-dioxolanes Oxolanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Phenol - Ketal - Gamma butyrolactone - Benzenoid - Monocyclic benzene moiety - Meta-dioxolane - Oxolane - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Primary 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