| Compound | Isotetrandrine |
| NPACT-Id | NPACT01242 |
| IUPAC | - |
| Synonyms | Isotetrandrine;Berbaman,6',7,12-tetramethoxy-2,2'-dimethyl- |
| PubChem Id | 5351212 |
| Class | Alkaloids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | WVTKBKWTSCPRNU-IHLOFXLRSA-N |
| InChi | 1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1 |
| SMILES | O1c2c3[C@@H](N(CCc3cc(OC)c2OC)C)Cc2cc(Oc3ccc(C[C@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(OC)cc2 |
|
SMART | [H]C1=C([H])C2=C([H])C([H])=C1OC1=C(OC([H])([H])[H])C([H])=C([H])C(=C1[H])C([H])([H])[C@]1([H])[N@](C([H])([H])[H])C([H])([H])C([H])([H])C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC4=C(OC([H])([H])[H])C([H])=C5C(=C4[H])[C@]([H])([N@](C([H])([H])[H])C([H])([H])C5([H])[H])C2([H])[H])=C13 |
| CAS No. | - |
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Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C009438 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | Therapeutic Targets Database, |
| 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 |