Bioactive Compound Details
| BioID | bio473 |
|---|---|
| Name | LEONTICIN C |
| ChEMBL ID | CHEMBL499791 |
| Molecular Formula | C77H126O41 |
| Molecular Weight | 1707.81 |
| Molecular Weight (Monoisotopic) | 1706.7775 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | leonticin C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)C[C@H]5O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C77H126O41/c1-26-40(85)45(90)51(96)64(104-26)112-57-33(22-80)108-66(53(98)47(57)92)113-58-35(24-82)110-68(55(100)49(58)94)118-71(102)77-17-16-72(3,4)18-29(77)28-10-11-37-74(7)14-13-39(73(5,6)36(74)12-15-75(37,8)76(28,9)19-38(77)84)111-70-62(117-65-52(97)46(91)43(88)31(20-78)106-65)61(41(86)27(2)105-70)116-67-54(99)48(93)59(34(23-81)109-67)114-69-56(101)60(44(89)32(21-79)107-69)115-63-50(95)42(87)30(83)25-103-63/h10,26-27,29-70,78-101H,11-25H2,1-9H3/t26-,27-,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-,74-,75+,76+,77+/m0/s1 |
| Inchi Key | UNDNCWHLXCTBGL-LNNXAFGBSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['3, leonticin C'] |
| Records Name | ['3-O-[beta-D-xylopyranosyl(1->3)-beta-D-galactopyranosyl(1->4)-beta-D-glucopyranosyl(1->3)][beta-D-glucopyranosyl(1->2)]-alpha-L-arabinopyranosylechinocystic acid 28-O-alpha-L-rhamnopyranosyl(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
