Bioactive Compound Details
| BioID | bio197112 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL481241 |
| Molecular Formula | C29H33N3O3 |
| Molecular Weight | 471.6 |
| Molecular Weight (Monoisotopic) | 471.2522 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 1',2',3',4'-Tetradehydrotubulosine |
| Smiles | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccc(O)cc12 |
| Inchi | InChI=1S/C29H33N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-7,9,13-15,17,19,26,31,33H,4,8,10-12,16H2,1-3H3/t17-,19-,26-/m0/s1 |
| Inchi Key | FYIJNEXYFHEJLZ-IAKTWSEQSA-N |
| Molecular Species | BASE |
| Targets | 8.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 1.07 |
| Records Key | ['1'] |
| Records Name | [1',2', 3',4'-tetradehydrotubulosine"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
