| BioID | bio198110 |
|---|
| Name | HT-2 TOXIN |
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| ChEMBL ID | CHEMBL440357 |
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| Molecular Formula | C22H32O8 |
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| Molecular Weight | 424.49 |
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| Molecular Weight (Monoisotopic) | 424.2097 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | HT-2 toxin |
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| Smiles | CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 |
|---|
| Inchi | InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1 |
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| Inchi Key | PNKLMTPXERFKEN-MLXHEQMXSA-N |
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| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
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| Bioactivities | 12.0 |
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| Np Likeness Score | 3.17 |
|---|
| Records Key | ['17', '15', '2', 'HT-2 toxin', 'HT-2 toxin'] |
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| Records Name | ['Trichothecene analogue', 'HT-2 toxin', 'HT-2 toxin', 'HT-2 toxin', (1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-2'-[(acetyloxy)methyl]-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl 3-methylbutanoate"]" |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
