Bioactive Compound Details
| BioID | bio1363 |
|---|---|
| Name | MAELAXIN C |
| ChEMBL ID | CHEMBL505933 |
| Molecular Formula | C67H106O30 |
| Molecular Weight | 1391.55 |
| Molecular Weight (Monoisotopic) | 1390.6769 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | maelaxin C |
| Smiles | C/C=C(\C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](OC(C)=O)[C@@]12CO |
| Inchi | InChI=1S/C67H106O30/c1-13-26(2)56(85)91-37-21-62(6,7)20-31-30-14-15-35-64(10)18-17-36(63(8,9)34(64)16-19-65(35,11)66(30,12)22-38(88-29(5)71)67(31,37)25-70)92-61-54(97-58-48(81)44(77)41(74)32(23-68)89-58)50(49(82)51(94-61)55(83)84)93-60-53(46(79)42(75)33(24-69)90-60)96-59-52(45(78)40(73)28(4)87-59)95-57-47(80)43(76)39(72)27(3)86-57/h13-14,27-28,31-54,57-61,68-70,72-82H,15-25H2,1-12H3,(H,83,84)/b26-13+/t27-,28-,31-,32+,33+,34-,35+,36-,37-,38+,39-,40-,41-,42-,43+,44-,45+,46-,47+,48+,49-,50-,51-,52+,53+,54+,57-,58-,59-,60-,61+,64-,65+,66+,67+/m0/s1 |
| Inchi Key | DMEKIQJMBMEDLM-BBZHSQTRSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['3, maelaxin C'] |
| Records Name | ['3-O-{[(alpha-L-rhamnopyranosyl(1->2)-alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl(1->3)]-[beta-D-galactopyranosyl(1->2)]-beta-D-glucuronopyranosyl}16-O-acetyl,22-O-angeloyl-camelliagenin A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
