| Compound | sanggenol M |
| NPACT-Id | NPACT01309 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 44559956 |
| Class | Flavonoid |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | QPSHIEFJPZIFAL-XDUCGWBJSA-N |
| InChi | 1S/C45H46O10/c1-23(2)6-5-7-25-16-32(30-13-11-28(46)19-35(30)49)41(44(53)27-10-15-34(48)26(18-27)9-8-24(3)4)33(17-25)42-37(51)22-40-43(45(42)54)38(52)21-39(55-40)31-14-12-29(47)20-36(31)50/h6,8,10-15,17-20,22,32-33,39,41,46-51,54H,5,7,9,16,21H2,1-4H3/t32-, |
| SMILES | O=C([C@@H]1[C@H](CC(=C[C@H]1c1c(O)c2c(OC(CC2=O)c2c(O)cc(O)cc2)cc1O)CCC=C(C)C)c1c(O)cc(O)cc1)c1cc(c(O)cc1)CC=C(C)C |
|
SMART | [H]OC1=C([H])C(O[H])=C(C([H])=C1[H])[C@@]1([H])OC2=C(C(O[H])=C(C(O[H])=C2[H])[C@]2([H])C([H])=C(C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]([H])(C3=C(O[H])C([H])=C(O[H])C([H])=C3[H])[C@@]2([H])C(=O)C2=C([H])C(=C(O[H])C([H])=C2[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C(=O)C1([H])[H] |
| 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 | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |