Bioactive Compound Details
| BioID | bio1272 |
|---|---|
| Name | VACCAROID C |
| ChEMBL ID | CHEMBL538883 |
| Molecular Formula | C54H86O25 |
| Molecular Weight | 1135.26 |
| Molecular Weight (Monoisotopic) | 1134.5458 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Vaccaroid C |
| Smiles | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Inchi | InChI=1S/C54H86O25/c1-49(2)13-15-54(47(69)70)16-14-51(4)22(23(54)17-49)7-8-28-50(3)11-10-30(58)53(6,29(50)9-12-52(28,51)5)48(71)79-45-40(68)41(77-43-38(66)35(63)31(59)24(18-55)73-43)34(62)27(76-45)21-72-46-42(37(65)33(61)26(20-57)75-46)78-44-39(67)36(64)32(60)25(19-56)74-44/h7,23-46,55-68H,8-21H2,1-6H3,(H,69,70)/t23-,24+,25+,26+,27+,28+,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46+,50+,51+,52+,53-,54-/m0/s1 |
| Inchi Key | ZUSHLPYWFHLHCL-FHEJOWGISA-N |
| Molecular Species | None |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | None |
| Records Key | ['9'] |
| Records Name | ['vaccaroid C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
