| BioID | bio199264 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1082736 |
|---|
| Molecular Formula | C22H27NO5 |
|---|
| Molecular Weight | 385.46 |
|---|
| Molecular Weight (Monoisotopic) | 385.1889 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | (11Z)-1',2'-Didehydrostemofoline|1',2'-Didehydrostemofoline |
|---|
| Smiles | CC/C=C/C12C3CC4C5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)C1CCN42 |
|---|
| Inchi | InChI=1S/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13?,14?,15?,16?,21?,22-/m1/s1 |
|---|
| Inchi Key | XNUWGEPKIOWLHQ-WIKPCNBTSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | 4.0 |
|---|
| Records Key | ['6', '4', 1',2'-didehydrostemofoline"]" |
|---|
| Records Name | [(11Z)-1',2'-didehydrostemofoline", "(11Z)-1',2'-didehydrostemofoline", "1',2'-didehydrostemofoline"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
