Structure

InChI Key GVZFUVXPTPGOQT-UHFFFAOYSA-M
Smile COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O.CS(=O)(=O)[O-]
InChI
InChI=1S/C37H44O4P.CH4O3S/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-5(2,3)4/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H47O7PS
Molecular Weight 678.83
AlogP 7.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 16.0
Polar Surface Area 52.6
Molecular species None
Aromatic Rings 3.0
Heavy Atoms 42.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 2 D010300 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Colitis, Ulcerative 2 D003093 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Aging 2 D000375 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4074884
EPA CompTox DTXSID00233573
FDA SRS 6E01CG547T
SureChEMBL SCHEMBL4423673