Compound | cimigenol 3-O-alpha-L-arabinopyranoside |
NPACT-Id | NPACT01532 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Terpenoids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | BTPYUWOBZFGKAI-UHFFFAOYSA-N |
InChi | 1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3 |
SMILES | C1CC(C(C2C31C1(C(CC2)C2(C(CC1)(C1C4(C2O)OC(CC1C)C(C(C)(O)C)O4)C)C)C3)(C)C)OC1OCC(C(C1O)O)O |
SMART | [#6]C1CC2OC3(OC2C([#6])([#6])O)C(O)C2([#6])C4CCC5C6(CC46CCC2([#6])C13)CCC(OC1OCC(O)C(O)C1O)C5([#6])[#6] |
CAS No. | - |
|
Structure Download |
|
Cross Refrence in other databases |
Super Natural | - |
CTD | C516497 |
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 |