Compound Identification
SMILES
Br.NC(N)=S.COC1=CC(=CC(OC)=C1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=CDRUNUAQTANNEM-XHNCEJFUSA-N
Formula
C23H27BrN2O8S
Mass
571.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Lignan lactones
- Subclass Podophyllotoxins
-
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 Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Gamma butyrolactones Oxolanes Thioureas Secondary alcohols Carboxylic acid esters Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Hydrobromides
Molecular Framework
Not available
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Carboxylic acid ester - Lactone - Thiourea - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Ether - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Hydrobromide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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