Compound Identification
SMILES
CCO[C@H]1[C@H]2COC(=O)[C@@H]2[C@H](C2=CC(OC)=C(OC)C(OC)=C2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=STGBBEULPHACPI-QWIYEXKTSA-N
Formula
C24H26O8
Mass
442.464
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
Dibenzylbutyrolactone lignans Aryltetralin lignans Furanonaphthodioxoles Fatty alcohol esters Tetralins Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Alkyl aryl ethers Gamma butyrolactones Tetrahydrofurans 1,3-dioxoles Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Dibenzylbutyrolactone - Furanoid lignan - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Fatty alcohol ester - Tetralin - Benzodioxole - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Tetrahydrofuran - Meta-dioxole - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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