| Compound | Galbelgin |
| NPACT-Id | NPACT00590 |
| IUPAC | (2S,3S,4R,5R)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane |
| Synonyms | Veraguensin; (2r,3r,4s,5s)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran |
| PubChem Id | 101749 |
| Class | Lignans |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | PLCG1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | JLJAVUZBHSLLJL-DQEHQXCCSA-N |
| InChi | 1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14+,21-,22+ |
| SMILES | O1[C@@H]([C@H]([C@H]([C@@H]1c1cc(OC)c(OC)cc1)C)C)c1cc(OC)c(OC)cc1 |
|
SMART | [H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])[C@]1([H])O[C@]([H])(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C084077 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, Ambinter, Kingston Chemistry, ZINC, |
| 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 |