Bioactive Compound Details
| BioID | bio1579 |
|---|---|
| Name | ACUTISSIMATRITERPENE C |
| ChEMBL ID | CHEMBL500777 |
| Molecular Formula | C39H48O8 |
| Molecular Weight | 644.81 |
| Molecular Weight (Monoisotopic) | 644.3349 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Acutissimatriterpene C |
| Smiles | CO[C@@]1(C)CO[C@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@H]4CC=C6C[C@@H](c7ccc8c(c7)OCO8)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 |
| Inchi | InChI=1S/C39H48O8/c1-34(42-4)17-39(46-19-34)16-25(33(41)47-39)27-10-12-38-18-37(27,38)11-9-26-24-7-6-23-14-30(22-5-8-29-31(13-22)45-21-44-29)43-20-35(23,2)28(24)15-32(40)36(26,38)3/h5-6,8,13,16,24,26-28,30,32,40H,7,9-12,14-15,17-21H2,1-4H3/t24-,26-,27+,28-,30+,32-,34-,35+,36+,37-,38-,39+/m1/s1 |
| Inchi Key | VDHUIKLHUSCVMB-ILDJKBNJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 2.9 |
| Records Key | ['3'] |
| Records Name | ['acutissimatriterpene C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
