| Compound | Hernone |
| NPACT-Id | NPACT00658 |
| IUPAC | (2R,3S,4R)-(-)-3-hydroxymethyl-4-(3?,4'',5?-trimethoxybenzoyl)-2-(3?,4?-dimethoxyphenyl)tetrahydrofuran |
| Synonyms | - |
| PubChem Id | 15043005 |
| Class | Lignans |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | QLEYCCSZYVKRKW-DMPWYTOCSA-N |
| InChi | 1S/C23H28O8/c1-26-17-7-6-13(8-18(17)27-2)22-15(11-24)16(12-31-22)21(25)14-9-19(28-3)23(30-5)20(10-14)29-4/h6-10,15-16,22,24H,11-12H2,1-5H3/t15-,16+,22-/m0/s1 |
| SMILES | O1[C@H]([C@H]([C@@H](C1)C(=O)c1cc(OC)c(OC)c(OC)c1)CO)c1cc(OC)c(OC)cc1 |
|
SMART | [#6]OC1=CC(=CC(O[#6])=C1O[#6])C(=O)[C@@H]1CO[C@H]([C@H]1CO)C1=CC(O[#6])=C(O[#6])C=C1 |
| CAS No. | - |
|
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 |