| BioID | bio98629 |
|---|
| Name | EMPETRIFERDINAN B |
|---|
| ChEMBL ID | CHEMBL2152498 |
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| Molecular Formula | C21H30O4 |
|---|
| Molecular Weight | 346.47 |
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| Molecular Weight (Monoisotopic) | 346.2144 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar80 |
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| Target Name | None |
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| Synonyms | Empetriferdinan B |
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| Smiles | CCC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CCCC(C)(C)[C@H]1C2 |
|---|
| Inchi | InChI=1S/C21H30O4/c1-6-12(2)18(24)17-15(23)11-14(22)13-10-16-20(3,4)8-7-9-21(16,5)25-19(13)17/h11-12,16,22-23H,6-10H2,1-5H3/t12?,16-,21-/m1/s1 |
|---|
| Inchi Key | OHOUGQQSZUNTBK-DMXAWCJTSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
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| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 2.6 |
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| Records Key | ['10, Empetriferdinan B'] |
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| Records Name | ['rel-1-((4aR*,9aR*)-6,8-dihydroxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-5-yl)-2-methylbutan-1-one'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
