Bioactive Compound Details
| BioID | bio714 |
|---|---|
| Name | LEUCASPEROSIDE C |
| ChEMBL ID | CHEMBL506224 |
| Molecular Formula | C38H60O16 |
| Molecular Weight | 772.88 |
| Molecular Weight (Monoisotopic) | 772.3881 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | leucasperoside C |
| Smiles | C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@H]2CC1 |
| Inchi | InChI=1S/C38H60O16/c1-7-37(5)10-8-18-17(13-37)19(40)12-22-36(3,4)23(9-11-38(18,22)6)53-35-32(54-34-31(48)27(44)24(41)16(2)50-34)29(46)26(43)21(52-35)15-49-33-30(47)28(45)25(42)20(14-39)51-33/h7,13,16,18,20-35,39,41-48H,1,8-12,14-15H2,2-6H3/t16-,18-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,34-,35-,37-,38+/m0/s1 |
| Inchi Key | DYQUUDTVSYFIFR-FWDXNEEQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.61 |
| Records Key | ['7, leucasperoside C'] |
| Records Name | ['isopimara-8(14),15-diene-7-keto-3-O-beta-Dglucosyl(1->6)-[alpha-L-rhamnosyl(1->2)]-beta-D-glucoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
