| Compound | 12-Deoxyphorbol 20-acetate 13-angelate |
| NPACT-Id | NPACT00037 |
| IUPAC | - |
| Synonyms | 12-Deoxyphorbol-13-angelate-20-acetate; 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9a-beta-trihydroxy-3-acetoxymethyl-1,1,6,8-beta-tetramethyl-, 9-((Z)-2-methylbutenate) |
| PubChem Id | 6444377 |
| Class | Terpenoids |
| In-vitro anticancer activity | 6 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ZZTJICHINNSOQL-AKVATDITSA-N |
| InChi | 1S/C27H36O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h8-10,16,19-21,31-32H,11-13H2,1-7H3/b14-8-/t16-,19+,20-,21-,25-,26+,27-/m1/s1 |
| SMILES | O([C@@]12[C@@H](C1(C)C)[C@H]1[C@](O)([C@@H](C2)C)[C@H]2[C@](O)(CC(=C1)COC(=O)C)C(=O)C(=C2)C)C(=O)/C(=CC)/C |
|
SMART | [H]O[C@@]12C(=O)C(=C([H])[C@@]1([H])[C@]1(O[H])[C@@]([H])(C([H])=C(C([H])([H])OC(=O)C([H])([H])[H])C2([H])[H])[C@@]2([H])[C@@](OC(=O)C(=C([H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[C@@]1([H])C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 65700-59-6 |
|
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 | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |