| BioID | bio1720 |
|---|
| Name | LAEVIGATLACTONE C |
|---|
| ChEMBL ID | CHEMBL1094306 |
|---|
| Molecular Formula | C20H30O3 |
|---|
| Molecular Weight | 318.46 |
|---|
| Molecular Weight (Monoisotopic) | 318.2195 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | laevigatlactone C |
|---|
| Smiles | C/C1=C\CC[C@](C)(O)/C=C/[C@]2(C(C)C)CC/C(=C\CC1)C(=O)O2 |
|---|
| Inchi | InChI=1S/C20H30O3/c1-15(2)20-12-10-17(18(21)23-20)9-5-7-16(3)8-6-11-19(4,22)13-14-20/h8-9,13-15,22H,5-7,10-12H2,1-4H3/b14-13+,16-8+,17-9+/t19-,20-/m0/s1 |
|---|
| Inchi Key | GZRPXVDWKSUPJN-WIOCDIDYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 2.95 |
|---|
| Records Key | ['3, laevigatlactone C'] |
|---|
| Records Name | ['(1R*,2E,4S*,7E,11E)-1-isopropyl-4-hydroxy-4,8-dimethyl-21-oxabicyclo[10.2.2]hexadeca-2,7,11-trien-20-one'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
