Bioactive Compound Details
| BioID | bio1465 |
|---|---|
| Name | ORCHIDASTROSIDE C |
| ChEMBL ID | CHEMBL1076824 |
| Molecular Formula | C77H126O43 |
| Molecular Weight | 1739.81 |
| Molecular Weight (Monoisotopic) | 1738.7673 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Orchidastroside C |
| Smiles | C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6[C@@H](O)[C@H](OC[C@H]7O[C@@H](O[C@@H]8[C@@H](O)[C@H](O[C@H]9[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]%10[C@H](O)[C@@H](O[C@@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)[C@H](O)O[C@@H]%10CO)[C@@H]9O[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)OC[C@H]8O)[C@H](O)[C@@H](O[C@@H]8O[C@H](CO[C@@H]9O[C@@H](CO)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@@H]7O)O[C@H]6CO)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Inchi | InChI=1S/C77H126O43/c1-25-8-13-77(105-20-25)26(2)42-35(120-77)15-32-30-7-6-28-14-29(9-11-75(28,4)31(30)10-12-76(32,42)5)107-61-39(19-81)111-69(57(61)98)104-24-41-48(89)62(116-72-54(95)50(91)46(87)40(112-72)23-103-67-52(93)45(86)36(16-78)109-67)58(99)73(113-41)114-59-34(83)22-102-70(56(59)97)117-63-47(88)37(17-79)110-74(65(63)119-68-51(92)44(85)33(82)21-101-68)115-60-38(18-80)108-66(100)64(55(60)96)118-71-53(94)49(90)43(84)27(3)106-71/h25-74,78-100H,6-24H2,1-5H3/t25-,26-,27-,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-,63-,64+,65+,66+,67+,68-,69+,70-,71-,72-,73-,74-,75-,76-,77+/m0/s1 |
| Inchi Key | AYIVMCNWKUCOII-YJKBSPITSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['3, Orchidastroside C'] |
| Records Name | ['(25S)-5alpha-spirostan-3beta-ol 3-O-alpha-L-arabinofuranosyl-(1->6)-[alpha-L-arabinofuranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->3)-[alpha-L-arabinopyranosyl-(1->2)]-beta-Dglucopyranosyl-(1->4)-[alpha-L-rhamnopyranosyl-(1->2)]-beta-Dgalactopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
