Bioactive Compound Details
| BioID | bio200311 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL454231 |
| Molecular Formula | C48H64O19 |
| Molecular Weight | 945.02 |
| Molecular Weight (Monoisotopic) | 944.4042 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 5,3',2'-O-Triacetylipomoeassin C |
| Smiles | C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H]2O[C@H]3[C@H](O[C@@H](CCC)CCCCC[C@H](OC(C)=O)C(=O)CCC(=O)OC[C@@H](O2)[C@H]1OC(=O)/C=C/c1ccccc1)O[C@H](C)[C@H](OC(C)=O)[C@@H]3OC(C)=O |
| Inchi | InChI=1S/C48H64O19/c1-9-17-34-20-15-12-16-21-36(59-29(5)49)35(53)23-25-38(54)57-26-37-41(65-39(55)24-22-33-18-13-11-14-19-33)43(66-46(56)27(3)10-2)44(62-32(8)52)48(64-37)67-45-42(61-31(7)51)40(60-30(6)50)28(4)58-47(45)63-34/h10-11,13-14,18-19,22,24,28,34,36-37,40-45,47-48H,9,12,15-17,20-21,23,25-26H2,1-8H3/b24-22+,27-10+/t28-,34+,36+,37-,40+,41-,42+,43+,44-,45-,47+,48+/m1/s1 |
| Inchi Key | WMUCRRJYHCIZMY-OEORNNSYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.42 |
| Records Key | ['7'] |
| Records Name | [5,3',2''-O-triacetylipomoeassin C"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
