Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](OCC\C(=N/S(C)(=O)=O)N2CCCCC2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=DIJOOYCCYPZSPF-LOZLUTNLSA-N
Formula
C31H38N2O10S
Mass
630.71
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 Tetralins Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Piperidines Gamma butyrolactones Sulfonyls Oxolanes Organosulfonic acids and derivatives Carboxylic acid esters Acetals Oxacyclic compounds Amidines Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen 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 - Gamma butyrolactone - Benzenoid - Monocyclic benzene moiety - Piperidine - Oxolane - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Lactone - Amidine - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Ether - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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