Bioactive Compound Details
| BioID | bio780 |
|---|---|
| Name | DAEDALEASIDE C |
| ChEMBL ID | CHEMBL445991 |
| Molecular Formula | C41H60O11 |
| Molecular Weight | 728.92 |
| Molecular Weight (Monoisotopic) | 728.4136 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Daedaleaside C |
| Smiles | C=C(CC[C@@H](C(=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |
| Inchi | InChI=1S/C41H60O11/c1-21(2)22(3)11-12-25(36(48)52-37-35(47)34(46)33(45)29(51-37)20-49-23(4)42)32-28(50-24(5)43)19-41(10)27-13-14-30-38(6,7)31(44)16-17-39(30,8)26(27)15-18-40(32,41)9/h13,15,21,25,28-30,32-35,37,45-47H,3,11-12,14,16-20H2,1-2,4-10H3/t25-,28-,29-,30+,32+,33-,34+,35-,37+,39-,40-,41+/m1/s1 |
| Inchi Key | QDOSDEKSOUMQAH-KBMCNBBDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.08 |
| Records Key | ['4, Daedaleaside C'] |
| Records Name | ['16-alpha-acetoxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid 21-O-6-O-acetyl-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
