| BioID | bio198526 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL493600 |
|---|
| Molecular Formula | C24H34O6 |
|---|
| Molecular Weight | 418.53 |
|---|
| Molecular Weight (Monoisotopic) | 418.2355 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | (3R, 2'R,5'R,7'R)-Spirolaxine Methyl Ether |
|---|
| Smiles | COc1cc(OC)c2c(c1)[C@@H](CCCCC[C@H]1CCC[C@]3(CC[C@@H](C)O3)O1)OC2=O |
|---|
| Inchi | InChI=1S/C24H34O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h14-17,20H,4-13H2,1-3H3/t16-,17+,20-,24-/m1/s1 |
|---|
| Inchi Key | JCVYMDCKTLUBAJ-JJLPPOTMSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 1.51 |
|---|
| Records Key | ['8a', '2'] |
|---|
| Records Name | [(3R, 2''R, 5''R, 7''R)-spirolaxine methyl ether", '(+)-Spirolaxine methyl ether']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
