Bioactive Compound Details
| BioID | bio1116 |
|---|---|
| Name | KALAMBROSIDE C |
| ChEMBL ID | CHEMBL444657 |
| Molecular Formula | C30H34O17 |
| Molecular Weight | 666.59 |
| Molecular Weight (Monoisotopic) | 666.1796 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | kalambroside C |
| Smiles | COc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O)c(=O)c2c1O |
| Inchi | InChI=1S/C30H34O17/c1-9-18(34)21(37)23(39)29(42-9)46-16-8-15-17(19(35)27(16)41-4)20(36)28(26(45-15)12-5-6-13(32)14(33)7-12)47-30-24(40)22(38)25(10(2)43-30)44-11(3)31/h5-10,18,21-25,29-30,32-35,37-40H,1-4H3/t9-,10-,18-,21+,22-,23+,24+,25-,29-,30-/m0/s1 |
| Inchi Key | DMFHHIKBBFOXCL-CCTOFLRKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.0 |
| Records Key | ['4, kalambroside C'] |
| Records Name | [patuletin-3-O-(4''-O-acetyl-alpha-L-rhamnopyranosyl)-7-O-rhamnopyranoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
