Bioactive Compound Details
| BioID | bio1703 |
|---|---|
| Name | FLORATHEASAPONIN C |
| ChEMBL ID | CHEMBL451138 |
| Molecular Formula | C61H96O26 |
| Molecular Weight | 1245.41 |
| Molecular Weight (Monoisotopic) | 1244.619 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | floratheasaponin C |
| Smiles | C/C=C\C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@@H]2CC1(C)C |
| Inchi | InChI=1S/C61H96O26/c1-11-13-36(67)82-48-49(87-51(77)26(3)12-2)61(25-63)28(20-56(48,4)5)27-14-15-33-58(8)18-17-35(57(6,7)32(58)16-19-59(33,9)60(27,10)21-34(61)66)81-55-47(86-53-42(73)40(71)39(70)31(22-62)80-53)44(43(74)45(84-55)50(75)76)83-54-46(38(69)30(65)24-79-54)85-52-41(72)37(68)29(64)23-78-52/h11,13-14,26,28-35,37-49,52-55,62-66,68-74H,12,15-25H2,1-10H3,(H,75,76)/b13-11-/t26?,28-,29+,30-,31+,32?,33+,34+,35-,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47+,48-,49-,52-,53-,54-,55+,58-,59+,60+,61-/m0/s1 |
| Inchi Key | JJGYHRNOSFFYSP-FOMPCFLBSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | None |
| Records Key | ['3, floratheasaponin C'] |
| Records Name | ['21-O-angeloyl-22-O-2-methylbutyryl-R1-barrigenol 3-O-[beta-D-galactopyranosyl(1->2)][beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->3)]-beta-Dglucopyranosiduronic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
