| Compound | 3-beta-trans-p-coumaroyloxy-2-alpha-hydroxyurs-12-en-28-oic acid |
| NPACT-Id | NPACT00127 |
| IUPAC | (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-hydroxy-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Synonyms | - |
| PubChem Id | 14335960 |
| Class | Terpenoids |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | FEVUQLLYZLSRLB-SVRRIJHPSA-N |
| InChi | 1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,24+,28-,29+,30-,32+,33+, |
| SMILES | O([C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CC[C@H]([C@@H]3C)C)C(=O)O)C)(CC2)C)(C[C@H]1O)C)(C)C)C(=O)/C=C/c1ccc(O)cc1 |
|
SMART | [#6][C@@H]1CC[C@@]2(CC[C@]3([#6])C(=CC[C@@H]4[C@@]5([#6])C[C@@H](O)[C@H](OC(=O)C=CC6=CC=C(O)C=C6)[C@@]([#6])([#6])[C@@H]5CC[C@@]34[#6])[C@@H]2[C@H]1[#6])C(O)=O |
| 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 |