Bioactive Compound Details
| BioID | bio197216 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1644413 |
| Molecular Formula | C37H39IO9 |
| Molecular Weight | 754.61 |
| Molecular Weight (Monoisotopic) | 754.1639 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Iodo Resiniferatoxin |
| Smiles | C=C(C)[C@@]12C[C@@H](C)C34OC(Cc5ccccc5)(OC1[C@@H]3C=C(COC(=O)Cc1cc(I)c(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2 |
| Inchi | InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1 |
| Inchi Key | TZUJORCXGLGWDV-ASPPJSJRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.29 |
| Records Key | ['2, I-RTX, 2-iodo RTX'] |
| Records Name | ['2-iodo Resiniferatoxin'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
