| BioID | bio1668 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL558129 |
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| Molecular Formula | C30H52O6 |
|---|
| Molecular Weight | 508.74 |
|---|
| Molecular Weight (Monoisotopic) | 508.3764 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar11 |
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| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Siphonellinol C-23-Hydroperoxide |
|---|
| Smiles | CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)[C@](C)(C/C=C/C(C)(C)OO)[C@H](O)CC1 |
|---|
| Inchi | InChI=1S/C30H52O6/c1-20-10-13-24(32)28(6,17-9-16-26(2,3)36-34)21(20)11-12-22-29(7)18-14-23(31)27(4,5)35-25(29)15-19-30(22,8)33/h9,16,22-25,31-34H,10-15,17-19H2,1-8H3/b16-9+/t22-,23-,24+,25-,28-,29-,30+/m0/s1 |
|---|
| Inchi Key | KKUBOUCKYPCBMT-CDMQMTAESA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 4.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 3.29 |
|---|
| Records Key | ['10', '48', '89'] |
|---|
| Records Name | ['Siphonellinol C-23-hydroperoxide', '(3S,5aS,6S,7R)-6-(2-((5R,6S)-6-(4-hydroperoxy-4-methylpent-2-enyl)-5-hydroxy-2,6-dimethylcyclohex-1-enyl)ethyl)-2,2,5a,7-tetramethyldecahydrobenzo[b]oxepine-3,7-diol', 'Siphonellinol C-23-hydroperoxide'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
