Bioactive Compound Details
| BioID | bio136 |
|---|---|
| Name | ULMICIN C |
| ChEMBL ID | CHEMBL508571 |
| Molecular Formula | C45H60O8 |
| Molecular Weight | 728.97 |
| Molecular Weight (Monoisotopic) | 728.4288 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | ulmicin C |
| Smiles | C=C(C)[C@@H]1CC[C@]2(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc(O)c(OC)c4)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| Inchi | InChI=1S/C45H60O8/c1-25(2)29-16-19-42(5)24-36(53-39(49)26-10-13-28(46)14-11-26)45(8)30(37(29)42)23-33(52-40(50)27-12-15-31(47)32(22-27)51-9)38-43(6)20-18-35(48)41(3,4)34(43)17-21-44(38,45)7/h10-15,22,29-30,33-38,46-48H,1,16-21,23-24H2,2-9H3/t29-,30+,33+,34-,35-,36-,37+,38+,42+,43-,44+,45-/m0/s1 |
| Inchi Key | BRUCUXTUEIVGBU-RWUMXVMBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.31 |
| Records Key | ['3, ulmicin C'] |
| Records Name | [3beta,11alpha,15alpha-trihydroxylup-20(29)-ene-11-(3'-methoxy-4'-hydroxybenzoyl)-15-(4'-hydroxybenzoyl ester)"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
