| Compound | Gambogic acid |
| NPACT-Id | NPACT01212 |
| IUPAC | - |
| Synonyms | Guttic acid;.beta.-Guttiferin;.beta.-Guttilactone;2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, (2;Z)- |
| PubChem Id | 16072310 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BAX | BCL2 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | GEZHEQNLKAOMCA-GGBYEPGGSA-N |
| InChi | 1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27?,36+,37+,38-/m0/s1 |
| SMILES | O1[C@]2([C@@]34Oc5c(C(=O)C4=C[C@@H](CC3C1(C)C)C2=O)c(O)c1c(O[C@@](C=C1)(CCC=C(C)C)C)c5CC=C(C)C)C/C=C(/C)C(=O)O |
|
SMART | [H]OC(=O)C(=C([H])C([H])([H])[C@]12O[C@@](C([H])([H])[H])(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(C([H])=C4C(=O)C5=C(O[C@]134)C(=C1O[C@](C([H])=C([H])C1=C5O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C2=O)C([H])([H])[H] |
| CAS No. | 2752-65-0 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 002752650 |
| CTD | C052659 |
| HIT | C0343 |
| 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 |