| BioID | bio399 |
|---|
| Name | PSEUDOLARIC ACID C |
|---|
| ChEMBL ID | CHEMBL225131 |
|---|
| Molecular Formula | C21H26O7 |
|---|
| Molecular Weight | 390.43 |
|---|
| Molecular Weight (Monoisotopic) | 390.1679 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Pseudolaric Acid C|Pseudolaric Acid C1 |
|---|
| Smiles | COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@@]3(O)CC1 |
|---|
| Inchi | InChI=1S/C21H26O7/c1-13(16(22)23)5-4-9-19(2)15-8-11-20(18(25)28-19)10-6-14(17(24)27-3)7-12-21(15,20)26/h4-6,9,15,26H,7-8,10-12H2,1-3H3,(H,22,23)/b9-4+,13-5+/t15-,19+,20+,21-/m0/s1 |
|---|
| Inchi Key | RBXVTEUAOTYIME-GPGKBOPFSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 15.0 |
|---|
| Bioactivities | 20.0 |
|---|
| Np Likeness Score | 3.21 |
|---|
| Records Key | ['4', '8', '6', '3, pseudolaric acid C'] |
|---|
| Records Name | ['pseudolaric acid C', 'pseudolaric acid C1', 'Pseudolaric acid C', '(1R,7S,8R,9R)-9-(4-carboxy-penta-1,3-dienyl)-7-hydroxy-9-methyl-11-oxo-10-oxa-tricyclo[6.3.2.0*1,7*]tridec-3-ene-4-carboxylic acid methyl ester'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
