Compound Identification
SMILES
Br.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=UFDHIOBEMGNSDT-OIPAKAOISA-N
Formula
C22H23BrO8
Mass
495.322
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 Methoxybenzenes Anisoles Alkyl aryl ethers Gamma butyrolactones Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carbonyl compounds Hydrobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
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 - Secondary alcohol - Acetal - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organic oxygen compound - Hydrobromide - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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