| Compound | Cabraleadiol |
| NPACT-Id | NPACT00363 |
| IUPAC | (5S)-5-[(3R,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyloxolan-2-one |
| Synonyms | (3a,24S)-20,24-epoxydammarane-3,25-diol;dammarane-3,25-diol, 20,24-epoxy-,(3a,24S)- |
| PubChem Id | 21625899 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | RQBNSDSKUAGBOI-ZNYSIYOKSA-N |
| InChi | 1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1 |
| SMILES | O1[C@]([C@@H]2[C@@H]3[C@]([C@]4([C@@H]([C@@]5([C@@H](CC4)C([C@H](O)CC5)(C)C)C)CC3)C)(CC2)C)(CC[C@H]1C(O)(C)C)C |
|
SMART | [#6][C@@]([#6])(O)[C@@H]1CC[C@]([#6])(O1)[C@H]1CC[C@]2([#6])[C@@H]1CC[C@@H]1[C@@]3([#6])CC[C@@H](O)[C@@]([#6])([#6])[C@@H]3CC[C@@]21[#6] |
| CAS No. | 67253-01-4 |
|
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 |