Bioactive Compound Details
| BioID | bio1814 |
|---|---|
| Name | CLEMATERNOSIDE C |
| ChEMBL ID | CHEMBL1171258 |
| Molecular Formula | C86H132O42 |
| Molecular Weight | 1837.96 |
| Molecular Weight (Monoisotopic) | 1836.8193 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Clematernoside C |
| Smiles | COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@H]6[C@H](O[C@H]7CC[C@]8(C)[C@H]9CC=C%10[C@@H]%11CC(C)(C)CC[C@]%11(C(=O)O[C@@H]%11O[C@H](CO[C@@H]%12O[C@H](CO)[C@@H](O[C@@H]%13O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@@H](O)[C@H](O)[C@H]%11O)CC[C@@]%10(C)[C@]9(C)CC[C@H]8C7(C)C)OC[C@H](O)[C@@H]6O)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1O |
| Inchi | InChI=1S/C86H132O42/c1-33-50(93)56(99)62(105)74(115-33)124-67-42(28-88)118-72(64(107)59(67)102)113-31-44-54(97)57(100)63(106)76(121-44)128-80(110)86-23-21-81(3,4)26-37(86)36-13-15-47-83(7)19-18-48(82(5,6)46(83)17-20-85(47,9)84(36,8)22-24-86)122-78-70(52(95)39(91)30-112-78)127-77-66(109)69(51(94)34(2)116-77)126-73-61(104)55(98)45(32-114-73)120-75-65(108)60(103)68(43(29-89)119-75)125-79-71(58(101)53(96)41(27-87)117-79)123-49(92)16-12-35-11-14-40(111-10)38(90)25-35/h11-14,16,25,33-34,37,39,41-48,50-79,87-91,93-109H,15,17-24,26-32H2,1-10H3/b16-12+/t33-,34-,37-,39-,41+,42+,43+,44+,45+,46-,47+,48-,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-,78-,79-,83-,84+,85+,86-/m0/s1 |
| Inchi Key | LMPGKAHRTFPCEF-YVHWDHLRSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['21'] |
| Records Name | ['clematernoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
