Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OP(O)(O)=O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2OC3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=LIQODXNTTZAGID-STKZERGVSA-N
Formula
C29H33O16P
Mass
668.541
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 Phenyl phosphates Tetralins Pyranodioxins Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers 1,3-dioxanes Oxanes Monosaccharides Gamma butyrolactones Oxolanes Carboxylic acid esters 1,2-diols Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Phenyl phosphate - Aryl phosphate - Aryl phosphomonoester - Pyranodioxin - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Organic phosphoric acid derivative - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Meta-dioxane - Phosphoric acid ester - Monosaccharide - Oxane - Oxolane - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - 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