Np mrd loader

Record Information
Version2.0
Created at2024-09-11 15:47:29 UTC
Updated at2024-09-11 15:47:29 UTC
NP-MRD IDNP0338503
Secondary Accession NumbersNone
Natural Product Identification
Common NameTocophersolan
Description Tocophersolan was first documented in 2011 (PMID: 23861620). Based on a literature review a small amount of articles have been published on Tocophersolan (PMID: 36986583) (PMID: 32525772) (PMID: 30776407).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC35H58O6
Average Mass574.8430 Da
Monoisotopic Mass574.42334 Da
IUPAC Name1-(2-hydroxyethyl) 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl butanedioate
Traditional Namevitamin E-tpgs
CAS Registry NumberNot Available
SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(=O)CCC(=O)OCCO)=C(C)C(C)=C2O1
InChI Identifier
InChI=1/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3
InChI KeyAOBORMOPSGHCAX-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP9.7ChemAxon
pKa (Strongest Acidic)15.1ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area82.06 ŲChemAxon
Rotatable Bond Count20ChemAxon
Refractivity166.48 m³·mol⁻¹ChemAxon
Polarizability70.84 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTocofersolan
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Mehata AK, Setia A, Vikas, Malik AK, Hassani R, Dailah HG, Alhazmi HA, Albarraq AA, Mohan S, Muthu MS: Vitamin E TPGS-Based Nanomedicine, Nanotheranostics, and Targeted Drug Delivery: Past, Present, and Future. Pharmaceutics. 2023 Feb 21;15(3):722. doi: 10.3390/pharmaceutics15030722. [PubMed:36986583 ]
  2. Wande DP, Cui Q, Chen S, Xu C, Xiong H, Yao J: Rediscovering Tocophersolan: A Renaissance for Nano-Based Drug Delivery and Nanotheranostic Applications. Curr Drug Targets. 2021;22(8):856-869. doi: 10.2174/1389450121666200611140425. [PubMed:32525772 ]
  3. Bapat P, Ghadi R, Chaudhari D, Katiyar SS, Jain S: Tocophersolan stabilized lipid nanocapsules with high drug loading to improve the permeability and oral bioavailability of curcumin. Int J Pharm. 2019 Apr 5;560:219-227. doi: 10.1016/j.ijpharm.2019.02.013. Epub 2019 Feb 15. [PubMed:30776407 ]
  4. Johnson CC: Central corneal melting associated with reformulated generic diclofenac in a patient with inferior fornix foreshortening. Ophthalmol Eye Dis. 2011 Jul 25;3:21-4. doi: 10.4137/OED.S7300. Print 2011. [PubMed:23861620 ]