| BioID | bio142 |
|---|
| Name | SANGUINOLIGNAN C |
|---|
| ChEMBL ID | CHEMBL1641901 |
|---|
| Molecular Formula | C23H22O9 |
|---|
| Molecular Weight | 442.42 |
|---|
| Molecular Weight (Monoisotopic) | 442.1264 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Sanguinolignan C |
|---|
| Smiles | COc1ccc([C@@H](OC(C)=O)[C@H]2COC(=O)[C@@H]2C(=O)c2ccc3c(c2)OCO3)cc1OC |
|---|
| Inchi | InChI=1S/C23H22O9/c1-12(24)32-22(14-5-6-16(27-2)18(9-14)28-3)15-10-29-23(26)20(15)21(25)13-4-7-17-19(8-13)31-11-30-17/h4-9,15,20,22H,10-11H2,1-3H3/t15-,20-,22+/m0/s1 |
|---|
| Inchi Key | VPEDPWUASQDKTN-GJULWVSJSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.81 |
|---|
| Records Key | ['6, (-)-Sanguinolignan C'] |
|---|
| Records Name | [(8S,7'S,8'R)-7'-acetoxy-3,4-methylenedioxy-3',4'-dimethoxy-7-oxolignano-9,9'-lactone"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
