Bioactive Compound Details
| BioID | bio1300 |
|---|---|
| Name | JASPISAMIDE C |
| ChEMBL ID | CHEMBL450640 |
| Molecular Formula | C45H62N4O12 |
| Molecular Weight | 851.01 |
| Molecular Weight (Monoisotopic) | 850.4364 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Jaspisamide C |
| Smiles | COC(CC1OC(=O)CC(O)C/C=C/C(=O)C(C)C(OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CCC1C)C(C)CCC(=O)C(C)C(OC)C(C)/C=C/N(C)C=O |
| Inchi | InChI=1S/C45H62N4O12/c1-27-13-10-11-16-40-46-34(24-58-40)44-48-35(25-60-44)45-47-33(23-59-45)43(57-9)31(5)36(52)15-12-14-32(51)21-41(54)61-39(27)22-38(55-7)28(2)17-18-37(53)30(4)42(56-8)29(3)19-20-49(6)26-50/h11-12,15-16,19-20,23-32,38-39,42-43,51H,10,13-14,17-18,21-22H2,1-9H3/b15-12+,16-11+,20-19+ |
| Inchi Key | XGTLKZLKDQCQIQ-NMCGAEPHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.31 |
| Records Key | ['3'] |
| Records Name | ['Jaspisamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
