Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(OC(=O)C2=CC=NC=C2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=XUNFTUNXEHEAOR-UHFFFAOYSA-N
Formula
C28H25NO9
Mass
519.506
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 Pyridinecarboxylic acids Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Dicarboxylic acids and derivatives Gamma butyrolactones Oxolanes Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Acetals Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Benzodioxole - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyridine - Benzenoid - Heteroaromatic compound - Oxolane - Lactone - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organonitrogen compound - 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