Bioactive Compound Details
| BioID | bio1457 |
|---|---|
| Name | PHYLLANEMBLININ C |
| ChEMBL ID | CHEMBL501660 |
| Molecular Formula | C41H30O28 |
| Molecular Weight | 970.66 |
| Molecular Weight (Monoisotopic) | 970.0924 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Phyllanemblinin C |
| Smiles | O=C(O)C[C@@H]1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@H]1[C@@](O)(C(=O)O)O3 |
| Inchi | InChI=1S/C41H30O28/c42-13-1-8(2-14(43)24(13)49)34(55)68-39-33-32-30(65-38(59)12(6-19(47)48)23-22-11(37(58)67-33)5-17(46)27(52)31(22)69-41(23,62)40(60)61)18(64-39)7-63-35(56)9-3-15(44)25(50)28(53)20(9)21-10(36(57)66-32)4-16(45)26(51)29(21)54/h1-5,12,18,23,30,32-33,39,42-46,49-54,62H,6-7H2,(H,47,48)(H,60,61)/t12-,18+,23-,30+,32-,33+,39-,41-/m0/s1 |
| Inchi Key | JPFWNDBMKIVWMS-GRVYUTMBSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.32 |
| Records Key | ['3'] |
| Records Name | ['phyllanemblinin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
