| BioID | bio740 |
|---|
| Name | XANTHOKEISMINS C |
|---|
| ChEMBL ID | CHEMBL481120 |
|---|
| Molecular Formula | C25H28O7 |
|---|
| Molecular Weight | 440.49 |
|---|
| Molecular Weight (Monoisotopic) | 440.1835 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | xanthokeismins C |
|---|
| Smiles | C=C(C)C(O)CCC(C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O |
|---|
| Inchi | InChI=1S/C25H28O7/c1-14(2)18(27)12-13-25(3,31)24-23(30)21-20(32-24)11-9-17(22(21)29)19(28)10-6-15-4-7-16(26)8-5-15/h4-11,18,23-24,26-27,29-31H,1,12-13H2,2-3H3/b10-6+/t18?,23-,24-,25?/m0/s1 |
|---|
| Inchi Key | QVZYQQARMOXBPW-IRTNKAGMSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 2.08 |
|---|
| Records Key | ['3, xanthokeismins C'] |
|---|
| Records Name | ['1-[2,3-trans-3,4-dihydroxy-2-(1,4-dihydroxy-1,5-dimethylhex-5-enyl)-2,3-dihydrobenzofuran-5-yl]-3-(4-hydroxyphenyl)-E-propenone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
