| BioID | bio774 |
|---|
| Name | XANTHOPAPPIN C |
|---|
| ChEMBL ID | CHEMBL496243 |
|---|
| Molecular Formula | C27H20O3S2 |
|---|
| Molecular Weight | 456.59 |
|---|
| Molecular Weight (Monoisotopic) | 456.0854 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | xanthopappin C |
|---|
| Smiles | C/C=C/C#CC#Cc1ccc(C(=O)C(O)(CC(C)=O)c2ccc(C#CC#C/C=C/C)s2)s1 |
|---|
| Inchi | InChI=1S/C27H20O3S2/c1-4-6-8-10-12-14-22-16-18-24(31-22)26(29)27(30,20-21(3)28)25-19-17-23(32-25)15-13-11-9-7-5-2/h4-7,16-19,30H,20H2,1-3H3/b6-4+,7-5+ |
|---|
| Inchi Key | YIPZRWXKZQNUSS-YDFGWWAZSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 1.35 |
|---|
| Records Key | ['3, xanthopappin C'] |
|---|
| Records Name | ['(+/-)-1,2-bis[5-(E)-hept-5-ene-1,3-diynylthiophen-2-yl]-2-hydroxypentane-1,4-dione'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
