| BioID | bio1138 |
|---|
| Name | OLIGOPORIN C |
|---|
| ChEMBL ID | CHEMBL395861 |
|---|
| Molecular Formula | C36H56O10 |
|---|
| Molecular Weight | 648.83 |
|---|
| Molecular Weight (Monoisotopic) | 648.3873 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Oligoporin C |
|---|
| Smiles | C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)O |
|---|
| Inchi | InChI=1S/C36H56O10/c1-18(9-8-10-19(2)31(43)44)20-11-14-35(6)27-21(34(5)13-12-25(39)33(3,4)24(34)16-22(27)38)15-26(36(20,35)7)46-32-30(42)29(41)28(40)23(17-37)45-32/h10,18,20,23-26,28-30,32,37,39-42H,8-9,11-17H2,1-7H3,(H,43,44)/b19-10-/t18-,20-,23-,24+,25-,26-,28-,29+,30-,32+,34-,35+,36+/m1/s1 |
|---|
| Inchi Key | UBNBJPWHWRDJHQ-JOAPMODRSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 3.03 |
|---|
| Records Key | ['3, Oligoporin C'] |
|---|
| Records Name | ['(R,Z)-6-((3R,5R,10S,12R,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-12-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
