Bioactive Compound Details
| BioID | bio198246 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL451318 |
| Molecular Formula | C41H61NaO5S |
| Molecular Weight | 688.99 |
| Molecular Weight (Monoisotopic) | 666.4318 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Sodium 2-Heptaprenylhydroquinone 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/Cc1cc(OS(=O)(=O)[O-])ccc1O.[Na+] |
| Inchi | InChI=1S/C41H62O5S.Na/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(29-30-41(39)42)46-47(43,44)45;/h15,17,19,21,23,25,27,29-31,42H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,43,44,45);/q;+1/p-1/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+; |
| Inchi Key | XWTQBXFKARJKRX-MYHQIAKSSA-M |
| Molecular Species | ACID |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 0.96 |
| Records Key | ['5', '3'] |
| Records Name | ['Sodium 2-heptaprenylhydroquinone salt', 'sodium 3-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-hydroxyphenyl sulfate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
