Compound | Altaicalarins C |
NPACT-Id | NPACT00244 |
IUPAC | [(1S,2S,3R,4S,6S)-4-acetyloxy-3-[4-(3,3-dimethyloxiran-2-yl)-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl] (Z)-2-methylbut-2-enoate |
Synonyms | - |
PubChem Id | 46186620 |
Class | Terpenoids |
In-vitro anticancer activity | 4 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | DAQJZMZCFFUHCO-NAFQNHHTSA-N |
InChi | 1S/C22H30O6/c1-8-13(4)21(25)27-17(10-9-12(2)3)14(5)16-11-18-22(7,28-18)20(24)19(16)26-15(6)23/h8-9,16-19H,5,10-11H2,1-4,6-7H3/b13-8-/t16-,17?,18-,19-,22-/m0/s1 |
SMILES | O1[C@]2([C@@H]1C[C@H]([C@H](OC(=O)C)C2=O)C(=C)[C@@H](OC(=O)/C(=CC)/C)CC=C(C)C)C |
SMART | [H]C([H])=C(/[C@@]([H])(OC(=O)C(=C([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])[C@]2([H])O[C@]2(C([H])([H])[H])C(=O)[C@@]1([H])OC(=O)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 |