Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(OC(=O)C=C)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=QIYVADSQYOZVJU-UHFFFAOYSA-N
Formula
C25H24O9
Mass
468.458
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 Benzodioxoles Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Gamma butyrolactones Dicarboxylic acids and derivatives Acrylic acid esters Oxolanes Enoate esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Benzodioxole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Acrylic acid ester - Alpha,beta-unsaturated carboxylic ester - Oxolane - Enoate ester - Acrylic acid or derivatives - Carboxylic acid ester - Lactone - Ether - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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