Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2C(COC2=O)[C@H](OC(=O)C2=CC(N)=CC=C2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=SDMJEXGVQHJCSY-DBGJTOQZSA-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 Aminobenzoic acids and derivatives Methoxyphenols Benzoic acid esters Dimethoxybenzenes Benzodioxoles Phenoxy compounds Aniline and substituted anilines Anisoles Benzoyl derivatives Alkyl aryl ethers Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Amino acids and derivatives Carboxylic acid esters Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Aminobenzoic acid or derivatives - Benzoate ester - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Benzodioxole - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Phenol - Alkyl aryl ether - Benzenoid - Gamma butyrolactone - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Tetrahydrofuran - Amino acid or derivatives - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Carboxylic acid derivative - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Primary amine - Organic oxide - Organic nitrogen 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