Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C1C2[C@@H](COC2=O)[C@@H](OCCN(C)C)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=ZGHKEJXIWOMFNA-FFAYAFQTSA-N
Formula
C25H29NO8
Mass
471.506
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 Dimethoxybenzenes Methoxyphenols Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Gamma butyrolactones Tetrahydrofurans Carboxylic acid esters Amino acids and derivatives Trialkylamines Acetals Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Tetrahydrofuran - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Lactone - Tertiary amine - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organoheterocyclic compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - 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