Compound | pasakbumin C |
NPACT-Id | NPACT01502 |
IUPAC | - |
Synonyms | Iandonone;(1beta,11beta,12alpha,15alpha)-1,11,12,14,15-pentahydroxy-11,20-epoxypicras-3-ene-2,16-dione;picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,14,15-pentahydroxy-, (1beta,11beta,12alpha,15alpha)- |
PubChem Id | 636913 |
Class | Unknown |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | PKICXNXDFYYYGH-IHCIPJKKSA-N |
InChi | 1S/C20H26O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,8-9,11-14,16,22-24,26-27H,5-6H2,1-3H3/t8-,9-,11+,12+,13+,14+,16+,17+,18+,19-,20-/m0/s1 |
SMILES | O1[C@]2(O)[C@H]3[C@@]4([C@](O)([C@H]([C@H]2O)C)[C@H](O)C(=O)O[C@@H]4C[C@@H]2[C@@]3([C@H](O)C(=O)C=C2C)C)C1 |
SMART | [#6][C@H]1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2([#6])[C@H](O)C(=O)C=C([#6])[C@@H]2C[C@H]3OC(=O)[C@@H](O)[C@@]14O |
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 | ABI Chem, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | No |
Veber filter | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |