| Compound | Periplogenin-3-O-[beta-D-glucopyranosyl-(1->4)-beta-D-cymaropyranoside] |
| NPACT-Id | NPACT00853 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Steroids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | KWBPKUMWVXUSCA-QQACKFLMSA-N |
| InChi | 1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18?,20-,21?,22-,23+,24?,25?,27?,2 |
| SMILES | C1C[C@@H](C[C@@]2([C@]1([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)(C(CC2)C1=CC(=O)OC1)C)O)C)O)OC1OC(C(C(C1)OC)OC1OC(C(C(C1O)O)O)CO)C |
|
SMART | [H][C@@]12CC[C@]3(O)C[C@H](CC[C@]3([#6])[C@@]1([H])CC[C@]1([#6])C(CC[C@]21O)C1=CC(=O)OC1)OC1CC(O[#6])C(OC2OC(CO)C(O)C(O)C2O)C([#6])O1 |
| 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 |