Bioactive Compound Details
| BioID | bio2583 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1811932 |
| Molecular Formula | C43H49NO18 |
| Molecular Weight | 867.85 |
| Molecular Weight (Monoisotopic) | 867.295 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9'-Deacetoxymekongensine |
| Smiles | CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O |
| Inchi | InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(57-24(4)47)34(61-37(21)50)41(8,53)43(42,62-40)33(30)60-38(51)27-13-10-9-11-14-27/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42-,43-/m0/s1 |
| Inchi Key | VRFBNEKYXLBEOW-SOSGQWQHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.66 |
| Records Key | [9'-deacetoxymekongensine", '4']" |
| Records Name | [9'-deacetoxymekongensine", "9'-Deacetoxymekongensine"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
