Bioactive Compound Details
| BioID | bio1269 |
|---|---|
| Name | ALVARADOIN C |
| ChEMBL ID | CHEMBL455603 |
| Molecular Formula | C28H30O11 |
| Molecular Weight | 542.54 |
| Molecular Weight (Monoisotopic) | 542.1788 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | alvaradoin C |
| Smiles | COc1cc(O)c2c(c1)[C@@](O)([C@H]1OC[C@H](OC(C)=O)[C@H](OC(=O)C=C(C)C)[C@H]1O)c1cc(C)cc(O)c1C2=O |
| Inchi | InChI=1S/C28H30O11/c1-12(2)6-21(32)39-26-20(38-14(4)29)11-37-27(25(26)34)28(35)16-7-13(3)8-18(30)22(16)24(33)23-17(28)9-15(36-5)10-19(23)31/h6-10,20,25-27,30-31,34-35H,11H2,1-5H3/t20-,25+,26-,27-,28+/m0/s1 |
| Inchi Key | OLGFJNYTTKMULR-GWEDQHIASA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.91 |
| Records Key | ['5, alvaradoin C'] |
| Records Name | [(10R)-C-[4'-O-acetyl-3'-O-(3-methylbut-2-enoyl)]-beta-D-arabinopyranosyl-1,8,10-trihydroxy-6-methoxy-3-methyl-anthracen-9-one"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
