| BioID | bio928 |
|---|
| Name | DURUMHEMIKETALOLIDE C |
|---|
| ChEMBL ID | CHEMBL2021460 |
|---|
| Molecular Formula | C22H30O6 |
|---|
| Molecular Weight | 390.48 |
|---|
| Molecular Weight (Monoisotopic) | 390.2042 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Durumhemiketalolide C |
|---|
| Smiles | C=C1C(=O)O[C@H]2C[C@H]1[C@]1(O)C/C(C)=C/CC/C(C)=C/CC[C@]2(COC(C)=O)O1 |
|---|
| Inchi | InChI=1S/C22H30O6/c1-14-7-5-8-15(2)12-22(25)18-11-19(27-20(24)16(18)3)21(28-22,10-6-9-14)13-26-17(4)23/h8-9,18-19,25H,3,5-7,10-13H2,1-2,4H3/b14-9+,15-8+/t18-,19+,21-,22+/m1/s1 |
|---|
| Inchi Key | KMXSIXIXRFATQL-MGRIULBKSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | 3.25 |
|---|
| Records Key | ['3, Durumhemiketalolide C'] |
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| Records Name | ['(1R*,3R*,4R*,14S*,7E,11E)-14,18-dihydroxy-4,14-epoxycembra-7,11,15(17)-trien-16,3-olide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
