| Compound | Nymphone |
| NPACT-Id | NPACT00820 |
| IUPAC | (2R,3S,4R)-(-)-3-hydroxymethyl-4-(3?,4?,5?-trimethoxybenzoyl)-2-(3?,4?-methylenedioxyphenyl)tetrahydrofuran] |
| Synonyms | - |
| PubChem Id | - |
| 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 | HKVASQZMEAEGTN-WAIKUNEKSA-N |
| InChi | 1S/C23H26O8/c1-26-19-7-15(8-20(27-2)22(19)28-3)21(25)16-10-29-12-23(16,11-24)9-14-4-5-17-18(6-14)31-13-30-17/h4-8,16,24H,9-13H2,1-3H3/t16-,23-/m1/s1 |
| SMILES | c1(c(cc(cc1OC)C(=O)[C@@H]1[C@@](COC1)(CO)Cc1ccc2c(c1)OCO2)OC)OC |
|
SMART | [H][C@@]1(COC[C@]1(CO)CC1=CC2=C(OCO2)C=C1)C(=O)C1=CC(O[#6])=C(O[#6])C(O[#6])=C1 |
| CAS No. | 194026-36-3 |
|
Structure
Download | 
|
| 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 |