| BioID | bio1754 |
|---|
| Name | SESQUIPINSAPOL C TETRAACETATE |
|---|
| ChEMBL ID | CHEMBL455263 |
|---|
| Molecular Formula | C38H44O13 |
|---|
| Molecular Weight | 708.76 |
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| Molecular Weight (Monoisotopic) | 708.2782 |
|---|
| 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 | sesquipinsapol C tetraacetate |
|---|
| Smiles | COc1cc(C[C@H](COC(C)=O)Oc2ccc(C[C@@H]3[C@@H](Cc4ccc(OC(C)=O)c(OC)c4)CO[C@H]3OC(C)=O)cc2OC)ccc1OC(C)=O |
|---|
| Inchi | InChI=1S/C38H44O13/c1-22(39)46-21-30(15-27-9-12-33(49-24(3)41)36(18-27)44-6)51-34-13-10-28(19-37(34)45-7)16-31-29(20-47-38(31)50-25(4)42)14-26-8-11-32(48-23(2)40)35(17-26)43-5/h8-13,17-19,29-31,38H,14-16,20-21H2,1-7H3/t29-,30+,31+,38-/m0/s1 |
|---|
| Inchi Key | XPFFRNFOYOWUDQ-DWUTVZGUSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 0.99 |
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| Records Key | ['8a, sesquipinsapol C tetraacetate'] |
|---|
| Records Name | [(8R,8'R,9R,8''R)-4',4'',9,9''-tetrahydroy-3,3',3''-trimethoxy-4,8'':9,9'-bis-epoxy-8,8'-sesquineolignan"]" |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
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