Bioactive Compound Details
| BioID | bio115 |
|---|---|
| Name | GLEDITSIA SAPONIN C |
| ChEMBL ID | CHEMBL504224 |
| Molecular Formula | C94H148O43 |
| Molecular Weight | 1966.17 |
| Molecular Weight (Monoisotopic) | 1964.9394 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Gleditsia Saponin C |
| Smiles | C=C[C@@](C)(O)CC/C=C(\C)C(=O)O[C@H]1[C@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H](O)[C@H]1OC(=O)/C(=C/CC[C@](C)(O)C=C)CO |
| Inchi | InChI=1S/C94H148O43/c1-15-89(10,118)25-17-19-40(3)76(115)132-75-72(131-77(116)43(33-95)20-18-26-90(11,119)16-2)56(101)41(4)126-84(75)125-39-51-61(106)63(108)74(136-81-68(113)64(109)70(42(5)127-81)133-80-69(114)71(49(99)37-122-80)134-78-65(110)57(102)46(96)34-120-78)85(129-51)137-86(117)94-30-29-87(6,7)31-45(94)44-21-22-53-91(12)27-24-55(88(8,9)52(91)23-28-92(53,13)93(44,14)32-54(94)100)130-82-67(112)62(107)60(105)50(128-82)38-124-83-73(59(104)48(98)36-123-83)135-79-66(111)58(103)47(97)35-121-79/h15-16,19-21,41-42,45-75,78-85,95-114,118-119H,1-2,17-18,22-39H2,3-14H3/b40-19+,43-20+/t41-,42-,45+,46+,47+,48-,49+,50+,51+,52-,53+,54+,55-,56-,57-,58-,59-,60+,61+,62-,63-,64-,65+,66+,67+,68+,69+,70-,71-,72+,73+,74+,75+,78-,79-,80-,81-,82-,83-,84+,85-,89+,90+,91-,92+,93+,94+/m0/s1 |
| Inchi Key | SPFLAGMYUISNQO-HWAXQYJXSA-N |
| Molecular Species | None |
| Targets | 6.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | None |
| Records Key | ['1', '12'] |
| Records Name | ['Gleditsia saponin C', 'gleditsia saponin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
