| Compound | 18-beta-Glycyrrhetinic acid |
| NPACT-Id | NPACT01061 |
| IUPAC | - |
| Synonyms | Glycyrrhizic acid ammonium salt glycyrrhiza root (licorice);3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt |
| PubChem Id | 10114 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | MPDGHEJMBKOTSU-YKLVYJNSSA-N |
| InChi | 1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 |
| SMILES | O[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3=O)[C@H]3[C@@](CC4)(CC[C@](C3)(C)C(=O)O)C)C)(CC2)C)(CC1)C)(C)C |
|
SMART | [#6]C1([#6])[C@@H](O)CC[C@@]2([#6])[C@H]1CC[C@]1([#6])[C@@H]2C(=O)C=C2[C@@H]3C[C@]([#6])(CC[C@]3([#6])CC[C@@]12[#6])C(O)=O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000471534 |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemMol, FINETECH, Hangzhou APIChem Technology, MolPort, R&D
Chemicals, Selleck Chemicals, Selleckbio, SigmaNAAldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, |
| 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 |