Bioactive Compound Details
| BioID | bio1320 |
|---|---|
| Name | SCOPOSIDE C |
| ChEMBL ID | CHEMBL1098347 |
| Molecular Formula | C69H112O34 |
| Molecular Weight | 1485.62 |
| Molecular Weight (Monoisotopic) | 1484.7035 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | scoposide C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Inchi | InChI=1S/C69H112O34/c1-26-38(74)54(101-57-47(83)39(75)29(72)22-90-57)52(88)61(94-26)102-55-53(100-58-48(84)43(79)34(25-93-58)97-59-50(86)45(81)41(77)32(21-71)96-59)30(73)23-91-62(55)99-37-12-13-66(6)35(65(37,4)5)11-14-68(8)36(66)10-9-27-28-19-64(2,3)15-17-69(28,18-16-67(27,68)7)63(89)103-60-51(87)46(82)42(78)33(98-60)24-92-56-49(85)44(80)40(76)31(20-70)95-56/h9,26,28-62,70-88H,10-25H2,1-8H3/t26-,28+,29+,30-,31+,32+,33+,34+,35-,36+,37-,38-,39-,40+,41+,42+,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,66-,67+,68+,69-/m0/s1 |
| Inchi Key | NSLCVHDLSLUYOD-KNXOJWHPSA-N |
| Molecular Species | None |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | None |
| Records Key | ['3, scoposide C'] |
| Records Name | ['3-O-beta-D-glucopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->3)[-beta-D-xylopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)]-alpha-L-arabinopyranosylolean-12-ene 28-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
