Bioactive Compound Details
| BioID | bio264 |
|---|---|
| Name | PUNICACORTEIN C |
| ChEMBL ID | CHEMBL505828 |
| Molecular Formula | C48H28O30 |
| Molecular Weight | 1084.72 |
| Molecular Weight (Monoisotopic) | 1084.0665 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Punicacortein C |
| Smiles | O=C1O[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c(cc(O)c(O)c3O)C(=O)OC[C@H]2O)[C@@H]2OC(=O)c3c(c(O)c(O)c(O)c3[C@H]2O)-c2c1cc(O)c(O)c2O |
| Inchi | InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2/t11-,34-,38-,41-,42-/m1/s1 |
| Inchi Key | FESAEKUFXJFTFG-SMFQJOPGSA-N |
| Molecular Species | None |
| Targets | 10.0 |
| Bioactivities | 17.0 |
| Np Likeness Score | None |
| Records Key | ['8', '37', '8'] |
| Records Name | ['punicacortein C', 'Punicacortein C', 'punicacortein C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
