| BioID | bio1098 |
|---|
| Name | YUNGENSIN C |
|---|
| ChEMBL ID | CHEMBL1631975 |
|---|
| Molecular Formula | C40H52O8 |
|---|
| Molecular Weight | 660.85 |
|---|
| Molecular Weight (Monoisotopic) | 660.3662 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Yungensin C |
|---|
| Smiles | CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1OC(C)(CCC=C(C)C)C=C2 |
|---|
| Inchi | InChI=1S/C40H52O8/c1-10-13-30(42)32-34(44)28(33(43)27-18-20-39(8,48-36(27)32)19-12-15-24(4)5)22-29-35(45)31(26(7)41)38(47)40(9,37(29)46)21-17-25(6)16-11-14-23(2)3/h14-15,17-18,20,43-44,46-47H,10-13,16,19,21-22H2,1-9H3/b25-17+ |
|---|
| Inchi Key | UKQRDKMWMFEWPI-KOEQRZSOSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | 2.65 |
|---|
| Records Key | ['3, yungensin C'] |
|---|
| Records Name | ['2-{[5,7-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-8-butanoyl-6-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
