| Compound | Uncarinic acid B |
| NPACT-Id | NPACT00997 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Terpenoids |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | PLCG1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | KORNKUDSZGNBID-RXBKBLJDSA-N |
| InChi | 1S/C41H58O7/c1-36(2)19-20-40(35(45)47-8)21-22-41(25-48-34(44)14-10-26-9-12-29(42)30(23-26)46-7)27(28(40)24-36)11-13-32-38(5)17-16-33(43)37(3,4)31(38)15-18-39(32,41)6/h9-12,14,23,28,31-33,42-43H,13,15-22,24-25H2,1-8H3/b14-10+/t28-,31+,32+,33+,38+,39-,40+,4 |
| SMILES | C1C[C@@H](C([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)OC)COC(=O)/C=C/c1cc(c(cc1)O)OC)C)C)(C)C)O |
|
SMART | [#6]OC(=O)[C@]12CC[C@]([#6])([#6])C[C@@H]1C1=CC[C@H]3[C@@]4([#6])CC[C@H](O)[C@@]([#6])([#6])[C@@H]4CC[C@@]3([#6])[C@@]1(CC2)COC(=O)C=CC1=CC(O[#6])=C(O)C=C1 |
| 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 | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |