| Compound | Balsaminols E |
| NPACT-Id | NPACT00309 |
| IUPAC | (2S,3S,4S,5R,6S)-2-[[(3S,7S,8R,9S,10S,13R,14S,17R)-3-hydroxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Synonyms | - |
| PubChem Id | 46912852 |
| 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 | CQZMBKGZISMEKF-FFRATHGVSA-N |
| InChi | 1S/C30H48O3/c1-18(2)15-20(31)16-19(3)21-11-12-30(8)26-24(32)17-23-22(9-10-25(33)27(23,4)5)28(26,6)13-14-29(21,30)7/h15,17,19-22,25-26,31,33H,9-14,16H2,1-8H3/t19-,20+,21-,22-,25+,26-,28+,29-,30+/m1/s1 |
| SMILES | O=C1[C@H]2[C@]3([C@@]([C@H](CC3)[C@@H](C[C@@H](O)C=C(C)C)C)(CC[C@]2([C@H]2C(=C1)C([C@@H](O)CC2)(C)C)C)C)C |
|
SMART | [H]O[C@@]([H])(C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3([H])C(=O)C([H])=C4[C@@]([H])(C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]4(C([H])([H])[H])C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H] |
| CAS No. | - |
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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 |