| Compound | 23,24-Dihydrocucurbitacin B |
| NPACT-Id | NPACT00075 |
| IUPAC | [6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate |
| Synonyms | Dihydrocucurbitacin Q1;Hemslecin A;Cucurbitacin Iia |
| PubChem Id | 588303 |
| Class | Terpenoids |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CASP3 | CASP8 | CASP9 | PARP1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | QZJJDOYZVRUEDY-UHFFFAOYSA-N |
| InChi | 1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3 |
| SMILES | O[C@@H]1[C@@H]([C@@]2([C@@]([C@@H]3[C@]([C@H]4C(=CC3)C(C(=O)[C@@H](O)C4)(C)C)(C(=O)C2)C)(C1)C)C)[C@](O)(C)C(=O)CCC(OC(=O)C)(C)C |
|
SMART | [#6]C(=O)O[C@]([#6])([#6])CCC(=O)[C@]([#6])(O)[C@H]1[C@@H](O)C[C@]2([#6])[C@H]3CC=C4[C@@H](C[C@H](O)C(=O)[C@@]4([#6])[#6])[C@]3([#6])C(=O)C[C@]12[#6] |
| CAS No. | - |
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Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C478086 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |