| Compound | 3,5'-dihydroxythalifaboramine |
| NPACT-Id | NPACT00109 |
| IUPAC | (8S)-11-[4-[[(1S)-5-hydroxy-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 | 10723258 |
| 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 | FFYNASFFQZNXIU-NSOVKSMOSA-N |
| InChi | 1S/C39H44N2O9/c1-40-14-12-22-24(18-30(46-4)37(47-5)33(22)42)27(40)16-20-8-10-21(11-9-20)50-36-26-17-28-31-23(13-15-41(28)2)34(43)39(49-7)38(48-6)32(31)25(26)19-29(45-3)35(36)44/h8-11,18-19,27-28,42-44H,12-17H2,1-7H3/t27-,28-/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)c3O)C)cc1)C |
|
SMART | [#6]OC1=C(O)C(OC2=CC=C(C[C@@H]3[N@]([#6])CCC4=C(O)C(O[#6])=C(O[#6])C=C34)C=C2)=C2C[C@@H]3[N@]([#6])CCC4=C3C(=C(O[#6])C(O[#6])=C4O)C2=C1 |
| CAS No. | - |
|
Structure
Download | 
|
| 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 |