| Compound | 3-beta-trans-(3,4-dihydroxycinnamoyl-oxy)olean-12-en-28-oic acid |
| NPACT-Id | NPACT00124 |
| IUPAC | (4aS,6aS,6bR,10S,12aR)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Synonyms | - |
| PubChem Id | 9873829 |
| Class | Steroids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | OJEUMHQEAMVIBI-FDQLJXGRSA-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 | O([C@@H]1C([C@H]2[C@@]([C@H]3[C@]([C@]4(C(=CC3)[C@@H]3[C@@](CC4)(CCC(C3)(C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C)C(=O)/C=C/c1cc(O)c(O)cc1 |
|
SMART | O=C(C=CC1=CC(O)=C(O)C=C1)O[C@H]1CC[C@@]2([#6])[C@@H](CC[C@]3([#6])[C@H]2CC=C2[C@H]4C[C@@]([#6])([#6])CC[C@@]4(CC[C@@]32[#6])C(O)=O)[C@]1([#6])[#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 |