Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(OC(=O)C2=CC=C(C=C2)N=NC2=CC=CC=C2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=MFUZXFPARQLMRB-UHFFFAOYSA-N
Formula
C35H30N2O9
Mass
622.63
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
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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 Azobenzenes Tetralins Benzoic acid esters Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Azo compounds Carboxylic acid esters Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Azobenzene - Naphthofuran - Tetralin - Benzoate ester - Benzodioxole - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Gamma butyrolactone - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Oxolane - Azo compound - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen 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