| BioID | bio900 |
|---|
| Name | ACHYRODIMER C |
|---|
| ChEMBL ID | CHEMBL447638 |
|---|
| Molecular Formula | C40H44O18 |
|---|
| Molecular Weight | 812.77 |
|---|
| Molecular Weight (Monoisotopic) | 812.2528 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | achyrodimer C |
|---|
| Smiles | COc1cc(=O)oc([C@H]2[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H](c3cc(OC)cc(=O)o3)[C@H]2c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)c1 |
|---|
| Inchi | InChI=1S/C40H44O18/c1-51-21-11-23(55-27(43)13-21)31-29(17-3-7-19(8-4-17)53-39-37(49)35(47)33(45)25(15-41)57-39)32(24-12-22(52-2)14-28(44)56-24)30(31)18-5-9-20(10-6-18)54-40-38(50)36(48)34(46)26(16-42)58-40/h3-14,25-26,29-42,45-50H,15-16H2,1-2H3/t25-,26-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-/m1/s1 |
|---|
| Inchi Key | GDLOSEKDTGZMKZ-YLRYDLBXSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.85 |
|---|
| Records Key | ['3, achyrodimer C', '4'] |
|---|
| Records Name | [8,8'-(12-beta-D-glucopyranosylphenyl)-7,7'-di[6-(4-methoxy-2-pyronyl)]cyclobutane", "6,6'-((1R,2R,3S,4S)-2,4-bis(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)cyclobutane-1,3-diyl)bis(4-methoxy-2H-pyran-2-one)"]" |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
