Bioactive Compound Details
| BioID | bio1839 |
|---|---|
| Name | PACHYELASIDE C |
| ChEMBL ID | CHEMBL2252210 |
| Molecular Formula | C67H100O28 |
| Molecular Weight | 1353.51 |
| Molecular Weight (Monoisotopic) | 1352.6401 |
| Type | Unknown |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O[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]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)C[C@@H]1OC(=O)/C=C/c1ccccc1 |
| Inchi | InChI=1S/C67H100O28/c1-62(2)23-32-31-14-15-39-64(5)19-18-40(63(3,4)38(64)17-20-66(39,7)65(31,6)21-22-67(32,61(83)84)24-41(62)90-42(73)16-13-30-11-9-8-10-12-30)91-59-55(50(81)53(37(27-70)89-59)93-56-48(79)43(74)33(71)28-85-56)94-57-51(82)52(34(72)29-86-57)92-60-54(47(78)45(76)36(26-69)88-60)95-58-49(80)46(77)44(75)35(25-68)87-58/h8-14,16,32-41,43-60,68-72,74-82H,15,17-29H2,1-7H3,(H,83,84)/b16-13+/t32-,33+,34+,35+,36+,37+,38-,39+,40-,41-,43-,44+,45+,46-,47-,48+,49+,50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,64-,65+,66+,67+/m0/s1 |
| Inchi Key | HPWHBQBEUIHTFN-GQPKTZSISA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['3'] |
| Records Name | ['pachyelaside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
