Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@H]2O[C@H](COCC3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@H](OCC3=CC=CC=C3)[C@H]2OCC2=CC=CC=C2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=BJUDUCDAXLBNLT-VMJDPBKYSA-N
Formula
C55H54O13
Mass
923.024
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
Lignan glycosides Aryltetralin lignans Furanonaphthodioxoles Hexoses O-glycosyl compounds Dimethoxybenzenes Tetralins Methoxyphenols Benzylethers Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Gamma butyrolactones Oxanes Oxolanes Carboxylic acid esters Dialkyl ethers Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - Lignan glycoside - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Benzodioxole - Benzylether - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxane - Monosaccharide - Oxolane - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen 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