Bioactive Compound Details
| BioID | bio1312 |
|---|---|
| Name | VATICANOL C |
| ChEMBL ID | CHEMBL1224887 |
| Molecular Formula | C56H42O12 |
| Molecular Weight | 906.94 |
| Molecular Weight (Monoisotopic) | 906.2676 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Vaticanol C |
| Smiles | Oc1ccc([C@@H]2c3c(O)cc4c(c3[C@@H]3c5c(O)cc6c(c5[C@H]2[C@H]3c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O6)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 |
| Inchi | InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44-,45-,46-,51-,52+,55+,56+/m1/s1 |
| Inchi Key | DTAYOOZOCCYGJM-UTFSVEQESA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 0.64 |
| Records Key | ['11', '13'] |
| Records Name | ['Vaticanol C', 'vaticanol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
