Bioactive Compound Details
| BioID | bio320 |
|---|---|
| Name | AESCULITANNIN C |
| ChEMBL ID | CHEMBL506298 |
| Molecular Formula | C45H34O18 |
| Molecular Weight | 862.75 |
| Molecular Weight (Monoisotopic) | 862.1745 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Aesculitannin C |
| Smiles | Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)c3c(c2[C@@H]4[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3 |
| Inchi | InChI=1S/C45H34O18/c46-18-10-27(54)33-30(11-18)60-44(16-2-5-21(48)25(52)8-16)42(57)37(33)36-32(61-44)14-28(55)34-38-35-31(62-45(43(38)58,63-41(34)36)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)39(59-40(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-39,42-43,46-58H,12H2/t29-,37-,38-,39-,42-,43+,44+,45-/m1/s1 |
| Inchi Key | PGKGIQLKUPNZFG-JTJOKFAUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.48 |
| Records Key | ['7'] |
| Records Name | ['aesculitannin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
