| BioID | bio1125 |
|---|
| Name | TERRACINOLIDE C |
|---|
| ChEMBL ID | CHEMBL2074670 |
|---|
| Molecular Formula | C36H50O16 |
|---|
| Molecular Weight | 738.78 |
|---|
| Molecular Weight (Monoisotopic) | 738.3099 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
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| Synonyms | Terracinolide C |
|---|
| Smiles | CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](O)[C@@H]2[C@H]2OC(=O)CC[C@@]2(OC(C)=O)[C@@H]1OC(=O)C(C)C |
|---|
| Inchi | InChI=1S/C36H50O16/c1-17(2)32(45)49-31-26(46-19(4)37)30(47-20(5)38)33(9,10)14-12-18(3)27(43)36(52-23(8)41)16-34(11,50-21(6)39)28(44)25(36)29-35(31,51-22(7)40)15-13-24(42)48-29/h12,14,17-18,25-26,28-31,44H,13,15-16H2,1-11H3/b14-12+/t18-,25+,26-,28+,29+,30+,31+,34+,35-,36+/m0/s1 |
|---|
| Inchi Key | WKGYNBDVOPHKOW-LTLPZFIOSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 2.41 |
|---|
| Records Key | ['15', 'Terracinolide C', '15'] |
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| Records Name | ['(2R,3S)-2-Methyl-propionic acid (7S,11S,13R)-6,13-diacetoxy-4,15-bis-((R)-acetoxy)-12-((S)-acetoxy)-3-hydroxy-4,8,11-trimethyl-11-(R)-methyl-7,18-dioxo-19-oxa-tricyclo[13.4.0.0(2,6)]nonadec-9-en-14-yl ester', 'Terracinolide C', 'Terracinolide C'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
