| BioID | bio199197 |
|---|
| Name | (15S,19E,2'S,3'S,7'R,15'S,19'E)-GARDOVATINE |
|---|
| ChEMBL ID | CHEMBL2430444 |
|---|
| Molecular Formula | C38H38N4O |
|---|
| Molecular Weight | 566.75 |
|---|
| Molecular Weight (Monoisotopic) | 566.3046 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | C/C=C1/CN2CCc3c4n(c5ccccc35)/C=C3/[C@H]5C[C@@H]6N(CC[C@@]67c6ccccc6N(/C=C\4[C@H]1CC2=O)[C@@H]37)C/C5=C/C |
|---|
| Inchi | InChI=1S/C38H38N4O/c1-3-23-19-39-16-14-38-31-10-6-8-12-33(31)42-21-29-28-18-35(43)40(20-24(28)4-2)15-13-26-25-9-5-7-11-32(25)41(36(26)29)22-30(37(38)42)27(23)17-34(38)39/h3-12,21-22,27-28,34,37H,13-20H2,1-2H3/b23-3-,24-4-,29-21-,30-22-/t27-,28-,34-,37-,38+/m0/s1 |
|---|
| Inchi Key | OSKKNZHUYWQWKZ-SWNWXBJPSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | 1.52 |
|---|
| Records Key | ['1'] |
|---|
| Records Name | [(15S,19E,2'S,3'S,7'R,15'S,19'E)-gardovatine"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
