| BioID | bio378 |
|---|
| Name | HEDYOTISOL B |
|---|
| ChEMBL ID | CHEMBL1761832 |
|---|
| Molecular Formula | C42H50O16 |
|---|
| Molecular Weight | 810.85 |
|---|
| Molecular Weight (Monoisotopic) | 810.3099 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Hedyotisol B|Hedyotisol C |
|---|
| Smiles | COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(OC(CO)C(O)c6ccc(O)c(OC)c6)c(OC)c5)OCC34)cc2OC)ccc1O |
|---|
| Inchi | InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3 |
|---|
| Inchi Key | LSWNERGQFCAXLI-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 0.83 |
|---|
| Records Key | [19, 7'',8''-threo, 7''',8'''-threo", "20, 7'',8''-threo, 7''',8'''-erythro"]" |
|---|
| Records Name | ['hedyotisol C', 'hedyotisol B'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
