| Compound | 3-beta-trans-feruloyloxy-16-beta-hydroxylup-20(29)-ene |
| NPACT-Id | NPACT00125 |
| IUPAC | - |
| Synonyms | 3-O-(E)-Caffeoyloleanolic Acid |
| PubChem Id | - |
| 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 | OJEUMHQEAMVIBI-HZABPAOBSA-N |
| InChi | 1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30+,31+,36+,37-,38-,39+/ |
| SMILES | c1cc(c(cc1/C=CC(=O)O[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@H](CC[C@@H]1[C@H](C2)O)C(=C)C)C)C)C)(C)C)OC)C |
|
SMART | [#6]OC1=CC(C=CC(=O)O[C@H]2CC[C@@]3([#6])[C@@]([H])(CC[C@]4([#6])[C@]3([H])CC[C@]3([H])[C@@]5([H])[C@@H](CC[C@]5([H])[C@@H](O)C[C@@]43[#6])C(=C)[#6])[C@]2([#6])[#6])=CC([H])=C1[#6] |
| 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 |