| BioID | bio164888 |
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| Name | SILYBIN A |
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| ChEMBL ID | CHEMBL431701 |
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| Molecular Formula | C25H22O10 |
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| Molecular Weight | 482.44 |
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| Molecular Weight (Monoisotopic) | 482.1213 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar52 |
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| Target Name | None |
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| Synonyms | NSC-651520|SILIBININ A|SILYBIN A|SILYMARIN I|Silymarin |
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| Smiles | COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O |
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| Inchi | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1 |
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| Inchi Key | SEBFKMXJBCUCAI-HKTJVKLFSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 67.0 |
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| Bioactivities | 216.0 |
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| Np Likeness Score | 1.96 |
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| Records Key | ['SID144204621', '5', 'SID17388738', 'Silymarin', '1', 'SID50086851', 'Silybin A', 'Silybin A; Silibinin', 'SID170466469', 'SID144207953', '1A', '17', 'SILIBININ', 'SILYBIN A', 'Silybin A', 'COVC-3360419602', '10', 'SILIBININ', '1a, (2R,3R,10R,11R)', '1', 'Silibinin', '1', '3', 'SILIBININ', 'Silibinin', 'Silybin', '63', 'Silybin', 'SILIBININ', '1a; SilA', '18', 'Sil A, Diastereomer', 'Silybin'] |
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| Records Name | ['SID144204621', 'Silybin A', 'SID17388738', '(2R,3R)-3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo[1,4]dioxin-6-yl]-chroman-4-one', 'silybin A', 'SID50086851', 'Silybin A', 'Silybin A; Silibinin', 'SID170466469', 'SID144207953', 'Silybin A', '3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo[1,4]dioxin-6-yl]-chroman-4-one', 'SILIBININ', 'SILYBIN A', 'Silybin A', 'SILYBIN_SILIBININ', 'Silibinin; Silybin', 'SILIBININ', 'Silybin A', 'Silybin A', 'Silibinin', 'Silybin A', '(+)-Silybin A', 'SILIBININ', 'Silibinin', 'Silybin', 'Silybin', 'Silybin', 'SILIBININ', 'Silybin A', 'Silymarin', 'Silibinin A', 'Silybin'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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