| BioID | bio2510 |
|---|
| Name | MEZZETTIASIDE 9 |
|---|
| ChEMBL ID | CHEMBL443164 |
|---|
| Molecular Formula | C30H52O12 |
|---|
| Molecular Weight | 604.73 |
|---|
| Molecular Weight (Monoisotopic) | 604.3459 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | Mezzettiaside 9 |
|---|
| Smiles | CCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1O |
|---|
| Inchi | InChI=1S/C30H52O12/c1-7-9-11-12-13-15-17-36-29-24(35)27(25(19(4)38-29)41-22(33)16-14-10-8-2)42-30-28(40-21(6)32)26(39-20(5)31)23(34)18(3)37-30/h18-19,23-30,34-35H,7-17H2,1-6H3/t18-,19-,23-,24+,25-,26+,27-,28+,29+,30-/m0/s1 |
|---|
| Inchi Key | RDCMFBVGEZABQK-UWVAMOTESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 11.0 |
|---|
| Bioactivities | 18.0 |
|---|
| Np Likeness Score | 1.44 |
|---|
| Records Key | ['2, Mezzettiaside 9', '9, M-9, mezze 9'] |
|---|
| Records Name | ['n-octyl 2,3-di-O-acetyl-alpha-L-rhamnopyranosyl-(1->3)-4-O-hexanoyl-alpha-L-rhamnopyranoside', 'Mezzettiaside-9'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
