Bioactive Compound Details
| BioID | bio199179 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL449198 |
| Molecular Formula | C36H38N2O6 |
| Molecular Weight | 594.71 |
| Molecular Weight (Monoisotopic) | 594.273 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | (+)-2-Northalrugosine |
| Smiles | COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)NCC3 |
| Inchi | InChI=1S/C36H38N2O6/c1-38-14-12-23-18-30(41-3)32-20-26(23)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-34-24(11-13-37-27)19-33(42-4)35(39)36(34)44-32/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1 |
| Inchi Key | VPIWCSVVIJIYRD-IZLXSDGUSA-N |
| Molecular Species | BASE |
| Targets | 10.0 |
| Bioactivities | 40.0 |
| Np Likeness Score | 2.01 |
| Records Key | ['5', '29'] |
| Records Name | ['(+)-2-Northalrugosine', '(+)-2-northalrugosine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
