Bioactive Compound Details
| BioID | bio199183 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL507178 |
| Molecular Formula | C44H67N5O10 |
| Molecular Weight | 826.05 |
| Molecular Weight (Monoisotopic) | 825.4888 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Kulokekahilide-2 |
| Smiles | C/C=C(\C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C |
| Inchi | InChI=1S/C44H67N5O10/c1-13-26(5)37-40(53)46-31(10)44(57)59-38(27(6)14-2)29(8)34(50)21-20-28(7)43(56)58-35(22-25(3)4)39(52)45-30(9)41(54)49(12)33(23-32-18-16-15-17-19-32)42(55)48(11)24-36(51)47-37/h14-20,25-26,29-31,33-35,37-38,50H,13,21-24H2,1-12H3,(H,45,52)(H,46,53)(H,47,51)/b27-14+,28-20+/t26-,29-,30+,31-,33-,34-,35+,37-,38+/m0/s1 |
| Inchi Key | JUJXAYASADIXIM-LVOCQXHXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.55 |
| Records Key | ['1'] |
| Records Name | ['kulokekahilide-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
