| Compound | Lantadene A |
| NPACT-Id | NPACT00705 |
| IUPAC | (4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid |
| Synonyms | Rehmannic acid;22-beta-Angeloyloxyoleanolic acid;Olean-12-en-28-oic acid, 22-beta-hydroxy-3-oxo-, 2-methylcrotonate,(Z)-;Olean-12-en-28-oic acid, 22beta-hydroxy-3-oxo-, 2-methylcrotonate,(Z)-;22-((2-Methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid,(22beta);22-((2-Methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid, 22-beta(Z)-;Olean-12-en-28-oic acid, 22-((2-methyl-1-oxo-2-butenyl)oxy)-3-oxo; |
| PubChem Id | 6436598 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BAX | BCL2 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | KCLIRHUTOPOHKJ-LSZVMECJSA-N |
| InChi | 1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1 |
| SMILES | O([C@H]1[C@]2([C@H](C3=CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]2[C@@]4(CCC(=O)C2(C)C)C)C)CC(C1)(C)C)C(=O)O)C(=O)/C(=CC)/C |
|
SMART | [H]OC(=O)[C@@]12C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C(=C([H])C([H])([H])[C@]4([H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]5([H])C([H])([H])C([H])([H])[C@@]34C([H])([H])[H])[C@]1([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]2([H])OC(=O)C(=C([H])C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 467-81-2 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C019074 |
| 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 | No |
| Similarity Search | Human metabolite database | FDA approved drugs |