Bioactive Compound Details
| BioID | bio199456 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL601292 |
| Molecular Formula | C56H42O12 |
| Molecular Weight | 906.94 |
| Molecular Weight (Monoisotopic) | 906.2676 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-R-Viniferin |
| Smiles | Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(ccc(O)c4O[C@@H]3c3ccc(O)cc3)[C@H]2c2cc(/C=C/c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3)[C@@H](c3ccc(O)cc3)O4)ccc2O)cc1 |
| Inchi | InChI=1S/C56H42O12/c57-33-10-4-28(5-11-33)48-50(40-16-18-44(65)56-52(40)53(42-24-39(63)25-45(66)51(42)48)55(68-56)30-8-14-35(59)15-9-30)41-19-27(2-17-43(41)64)1-3-31-20-38(62)26-46-47(31)49(32-21-36(60)23-37(61)22-32)54(67-46)29-6-12-34(58)13-7-29/h1-26,48-50,53-55,57-66H/b3-1+/t48-,49+,50+,53+,54-,55-/m1/s1 |
| Inchi Key | PSYAROPOONLDRN-BQLJKXIBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 16.0 |
| Np Likeness Score | 1.22 |
| Records Key | ['9'] |
| Records Name | ['2-r-Viniferin'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
