| BioID | bio68 |
|---|
| Name | ARTHROBOTRISIN C |
|---|
| ChEMBL ID | CHEMBL1814573 |
|---|
| Molecular Formula | C22H34O6 |
|---|
| Molecular Weight | 394.51 |
|---|
| Molecular Weight (Monoisotopic) | 394.2355 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | arthrobotrisin C |
|---|
| Smiles | CC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@@H]2O |
|---|
| Inchi | InChI=1S/C22H34O6/c1-13(2)6-5-7-14(3)8-9-17(24)15(4)10-18(25)22-19(26)11-16(12-23)20(27)21(22)28-22/h6,8,10-11,17-21,23-27H,5,7,9,12H2,1-4H3/b14-8+,15-10+/t17-,18-,19-,20-,21-,22+/m0/s1 |
|---|
| Inchi Key | VTOBGWHJIIZDHV-SDBCYGQVSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | 3.27 |
|---|
| Records Key | ['3, arthrobotrisin C'] |
|---|
| Records Name | [(1R',2S',5S',6S')-1-((1S',2E',4S',6E')-1,4-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
