Bioactive Compound Details
| BioID | bio83464 |
|---|---|
| Name | THIELOCIN A1 |
| ChEMBL ID | CHEMBL407586 |
| Molecular Formula | C54H60O18 |
| Molecular Weight | 997.06 |
| Molecular Weight (Monoisotopic) | 996.378 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar54 |
| Target Name | None |
| Synonyms | Thielocin A1 |
| Smiles | COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)C4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(=O)O)c(OC)c6C)c(C)c5C[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(=O)O |
| Inchi | InChI=1S/C54H60O18/c1-20-23(4)38(27(8)42(65-15)33(20)47(56)57)69-49(60)35-22(3)25(6)40(29(10)44(35)67-17)71-51(62)37-31(12)53(14,63)54(64)52(13,46(37)55)19-32-26(7)36(45(68-18)30(11)41(32)72-54)50(61)70-39-24(5)21(2)34(48(58)59)43(66-16)28(39)9/h63-64H,19H2,1-18H3,(H,56,57)(H,58,59)/t52-,53+,54?/m0/s1 |
| Inchi Key | DEUPNPRGHXXEHM-LVIBINNISA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.54 |
| Records Key | ['Thielocin A1'] |
| Records Name | ['Thielocin A1'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
