| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 26 | No |
Popular Name: Palmatine Palmatine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10605-02-4 , 171869-95-7 , 3486-67-7 , 947153-64-2 , [10605-02-4] , [3486-67-7]
2,3,9,10-tetramethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
3486-67-7; 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium; C05315; Palmatine
3486-67-7; Palmatine chloride; Prestwick_374
5,6-dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium; palmatine
7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-berbinium
CHEBI:7895; CHEBI:14728; CHEBI:25833
Palmatine Chloride [3486-67-7]; (Berbericine chloride)
| 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) | -0.05 | 9.24 | -33.78 | 0 | 5 | 1 | 41 | 352.41 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 205o C (d) | Indofine |
| therap | antibacterial, antimalarial, uterine contractant | MicroSource Spectrum |
| Therapy | antibacterial, uterine contractant, antiplasmodium activity | SMDC MicroSource |
| UniProt Database Links | COOMT_COPJA | ChEBI |
| Target | Epidermal growth factor receptor(P00533) | Herbal Ingredients Targets |
| Target | Others | Selleck Chemicals |
| SOLUBILITY | Soluble in n-butanol/acetic acid/water | Indofine |
| Patent Database Links | US2007190187 | ChEBI |
| therap | uterine contractant, antibacterial, antiarrhythmic, inotropic, adrenocorticotropic, anticholinesterase, analgesic | MicroSource Spectrum |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 400 | 0.34 | Binding ≤ 10μM |
| CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 900 | 0.33 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 400 | 0.34 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 400 | 0.34 | Binding ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 900 | 0.33 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Xenobiotics |
