Bioactive Compound Details
| BioID | bio919 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL442911 |
| 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 | (+)-Vitisin C |
| Smiles | Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 |
| Inchi | InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1+/t50-,51-,52+,54+,55+,56-/m0/s1 |
| Inchi Key | WZKKRZSJTLGPHH-WHSOPTDBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.87 |
| Records Key | ['(+)-vitisin C'] |
| Records Name | ['(+)-vitisin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
