| Compound | 3-hydroxythalifaboramine |
| NPACT-Id | NPACT00131 |
| IUPAC | (8S)-11-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,13-trimethoxy-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,12-diol |
| Synonyms | - |
| PubChem Id | 10327115 |
| Class | Alkaloids |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | MNKMMHRKOKPHFM-VMPREFPWSA-N |
| InChi | 1S/C39H44N2O8/c1-40-14-12-22-17-30(44-3)31(45-4)19-25(22)28(40)16-21-8-10-23(11-9-21)49-37-27-18-29-33-24(13-15-41(29)2)35(42)39(48-7)38(47-6)34(33)26(27)20-32(46-5)36(37)43/h8-11,17,19-20,28-29,42-43H,12-16,18H2,1-7H3/t28-,29-/m0/s1 |
| SMILES | O(c1c2c3[C@@H](N(CCc3c(O)c1OC)C)Cc1c2cc(OC)c(O)c1Oc1ccc(C[C@@H]2N(CCc3c2cc(OC)c(OC)c3)C)cc1)C |
|
SMART | [#6]OC1=C(O[#6])C=C2[C@H](CC3=CC=C(OC4=C5C[C@@H]6[N@]([#6])CCC7=C6C(=C(O[#6])C(O[#6])=C7O)C5=CC(O[#6])=C4O)C=C3)[N@]([#6])CCC2=C1 |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |