| BioID | bio146 |
|---|
| Name | TAXUYUNNANINE C |
|---|
| ChEMBL ID | CHEMBL436993 |
|---|
| Molecular Formula | C28H40O8 |
|---|
| Molecular Weight | 504.62 |
|---|
| Molecular Weight (Monoisotopic) | 504.2723 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | taxuyunnanine C |
|---|
| Smiles | C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C |
|---|
| Inchi | InChI=1S/C28H40O8/c1-14-12-21(34-17(4)30)25-26(36-19(6)32)24-15(2)20(33-16(3)29)10-11-28(24,9)13-22(35-18(5)31)23(14)27(25,7)8/h20-22,24-26H,2,10-13H2,1,3-9H3/t20-,21-,22-,24-,25-,26-,28-/m0/s1 |
|---|
| Inchi Key | KFFHSFCOKCGBBW-VCPDXWRASA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | 2.58 |
|---|
| Records Key | ['1', '2'] |
|---|
| Records Name | ['acetic acid (1S,2S,3S,5S,8S,10S,14S)-2,5,14-triacetoxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-10-yl ester', 'taxuyunnanine C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
