Bioactive Compound Details
| BioID | bio1505 |
|---|---|
| Name | UNCARINIC ACID C |
| ChEMBL ID | CHEMBL446274 |
| Molecular Formula | C40H56O6 |
| Molecular Weight | 632.88 |
| Molecular Weight (Monoisotopic) | 632.4077 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | uncarinic acid C |
| Smiles | COc1cc(/C=C/C(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O |
| Inchi | InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/b10-8+/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1 |
| Inchi Key | CEDIUSJLGQLBRO-ARAGGUTRSA-N |
| Molecular Species | ACID |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 2.63 |
| Records Key | ['1, uncarinic acid C'] |
| Records Name | ['3-beta-hydroxy-27-(E)-feruloyloxyurs-12-en-28-oic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
