Compound | Adenanthin C |
NPACT-Id | NPACT01116 |
IUPAC | - |
Synonyms | - |
PubChem Id | 10928875 |
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 | QKHLDQYQFFOBAK-VCGKDBAHSA-N |
InChi | 1S/C26H36O8/c1-12-16-8-17(32-13(2)27)22-25(7)18(24(5,6)19(30)10-20(25)33-14(3)28)9-21(34-15(4)29)26(22,11-16)23(12)31/h16-22,30H,1,8-11H2,2-7H3/t16-,17+,18-,19+,20+,21+,22+,25+,26+/m1/s1 |
SMILES | O([C@@H]1[C@]23[C@H]([C@]4([C@@H](C([C@@H](O)C[C@@H]4OC(=O)C)(C)C)C1)C)[C@@H](OC(=O)C)C[C@H](C2)C(=C)C3=O)C(=O)C |
SMART | [H]O[C@@]1([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2(C([H])([H])[H])[C@]([H])(C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]34C(=O)C(=C([H])[H])[C@@]([H])(C3([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]24[H])[C@@]1(C([H])([H])[H])C([H])([H])[H] |
CAS No. | - |
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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 | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |