| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 46 | No |
Popular Name: TETRANDRINE TETRANDRINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 518-34-3 , [518-34-3]
(+)-Tetrandrine; 518-34-3; C09654; Tetrandrine
(1?)-6,6?,7,12-Tetramethoxy-2,2?-dimethylberbaman
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 6.55 | 12.56 | -14.64 | 0 | 8 | 0 | 62 | 622.762 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 6.55 | 15.24 | -57.28 | 1 | 8 | 1 | 63 | 623.77 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P | 219-222 °C | Indofine Natural Products |
| M.P | 221-222C | Indofine Natural Products |
| Therapy | analgesic, antineoplastic, antihypertensive, lymphotoxin | SMDC MicroSource |
| Target | Caspase-9(P55211)&Caspase-8(Q14790)&Caspase-3(P42574)&Apoptosis regulator BAX(Q07812)&G2/mitotic-specific cyclin-B1(P14635)&M-phase inducer phosphatase 3(P30307)&Serine/threonine-protein kinase PLK1(P53350)&Cell division control protein 2 homolog(P06493)& | Herbal Ingredients Targets |
| SOLUBILITY | Soluble in ether and some other Organic solvents | Indofine Natural Products |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 288 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 257 | 0.20 | Functional ≤ 10μM |
