Bioactive Compound Details
| BioID | bio198275 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL449011 |
| Molecular Formula | C46H69NaO5S |
| Molecular Weight | 757.11 |
| Molecular Weight (Monoisotopic) | 734.4944 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Sodium 2-Octaprenylhydroquinone Salt |
| Smiles | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(OS(=O)(=O)[O-])ccc1O.[Na+] |
| Inchi | InChI=1S/C46H70O5S.Na/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(33-34-46(44)47)51-52(48,49)50;/h17,19,21,23,25,27,29,31,33-35,47H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,48,49,50);/q;+1/p-1/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+; |
| Inchi Key | JUBALVJQWOBPFA-SQQWLAQFSA-M |
| Molecular Species | ACID |
| Targets | 7.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 0.87 |
| Records Key | ['6'] |
| Records Name | ['Sodium 2-octaprenylhydroquinone salt'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
