UCSF

ZINC03779067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 25 No

Popular Name: BERBERINE CHLORIDE BERBERINE CHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 141433-60-5 , 2086-83-1 , 316-41-6 , 5956-60-5 , 633-65-8 , 633-65-8, 2086-83-1 , 633-66-9 , 69352-97-2 , [2086-83-1] , [316-41-6] , [633-65-8] , [633-66-9]

Other Names:

"Berberine chloride, 98%"

2086-83-1; Berberine; C00757; Umbellatine

2086-83-1; berberine; umbellatine

5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride dihydrate; BERBERINE CHLORIDE DIHYDRATE (BERBERINE (2086-83-1)); Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, dihydrate; Berberine ch

5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride hydrate; AI3-61834; BERBERINE CHLORIDE (BERBARINE(2086-73-1)); Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride; Benzodioxide; Berberine c

5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium sulfate trihydrate; 7,8,13,13a-Tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium sulfate trihydrate; Berberine sulfate trihydrate; Berbinium, 7,8,13,13a-tetradehydro-9,10-dime

5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium sulfate; Acid berberine sulfate; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (1:1); Berberine bisulfate; Berberine hydrogen sulfate; Berberine

633-65-8; Berberine chloride; C12679

633-65-8; Berberine chloride; Prestwick_91

7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-[methylenebis(oxy)]berbinium; 9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-; Berberal; Berberin; Majarine; Thalsi

806

9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium; BRN 3570374; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-; Berberin; Berberine; Berbinium, 7,8,13,13a-tetrahydro-9,10-dimethoxy-2,3-(methylenedioxy)-; C20H18

9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride hydrate

9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium

AI3-61947; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydr0-9,10-dimethoxy-, sulfate (2:1); Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (2:1); Berberal; Berberin sulfate; Berberine sulfate; Berberine sulfa

Assam wood; Barberry extract; Barberry root; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, hydroxide; Berberine hydroxide; Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, hydroxide; C.I. Natural Yello

Berbamine sulphate acid

Berbercine

Berberin;Coptis rhizome;Umbellatine

Berberine

Berberine Chloride (JAN); Berberine Sulfate (JAN)

BERBERINE CHLORIDE DIHYDRATE

Berberine chloride form

Berberine chloride hydrate

Berberine chloride hydrate (JP16); D01250; Kyoberin (TN)

Berberine chloride hydrate, 97%, water <17%

Berberine HCl

Berberine hydrochloride

Berberine hydrogen sulfate

Berberine hydrogen sulfate, 98%+

Berberine iodide

BERBERINE SULFATE

Berberine Sulfate (JAN); Berberine Chloride (JAN)

Berberine Sulfate Hydrate

Berberine sulfate hydrate (JAN); D03293; Erben (TN)

Berberine sulfate, 98%+

Berberine sulphate

Berberine.sulfate.3H20

BRD-K14796088-003-06-0

CHEBI:41098; CHEBI:22753; CHEBI:13893; CHEBI:3066

DNC000303

GNF-PF-4545

MFCD00011939

MFCD00031743

MFCD00075789

MFCD00149997

MFCD00149998

MFCD00150327

MFCD00797311

MFCD01175817

MFCD03939430

N/A

Natural YellowÊ18

NSC-163088

QA-7717

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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) 0.20 8.91 -32.71 0 5 1 41 336.367 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 5.151 Bitter DB
ALOGPS_SOLUBILITY 3.54e-04 g/l DrugBank-experimental
Purity 95% Fluorochem
Purity 97% APIChem
Purity 98% APIChem
Purity >98% Fluorochem
therap antiarrhythmic, alpha2 agonist, anticonvulsant, antiinflammatory, antibacterial, antifungal, antitrypanosomal, antineoplastic, immunostimulant MicroSource World Drugs
Indications anticancer, anti-inflammatory KeyOrganics Bioactives
Target Antifection Selleck Chemicals
Therapy antipyretic, antimalarial SMDC MicroSource
Melting_Point ca 200? dec. Alfa-Aesar
Melting_Point ca 200° dec. Alfa-Aesar
Patent Database Links EP0813871; EP0813872; EP1574218; EP1905436; US2005257295; US2007190187; US2007197648; WO2006032380; WO2007090289; WO2007113748; WO2007130777 ChEBI
UniProt Database Links HMRM_HAEIN; MDTK_ERWAM; NCS1_COPJA; NCS2_COPJA; NCS_THLFG; TPIS_COPJA ChEBI
Target Mothers against decapentaplegic homolog 3(P84022)&Elastin(P15502)&Fibrillin-1(P35555)&Procollagen C-endopeptidase enhancer 1(Q15113)&Serine/threonine-protein phosphatase 5(P53041)&Collagenase 3(P45452)&Beta-nerve growth factor(P01138)&Neurogenic locus not Herbal Ingredients Targets
Target Others Selleck Chemicals
Purity ¡Ý98.0 APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-1-E Acetylcholinesterase (cluster #1 Of 12), Eukaryotic Eukaryotes 374 0.36 Binding ≤ 10μM
CHLE-1-E Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic Eukaryotes 9200 0.28 Binding ≤ 10μM
Z50420-2-O Trypanosoma Brucei Brucei (cluster #2 Of 7), Other Other 1100 0.33 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 800 0.34 Functional ≤ 10μM
Z50426-6-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #6 Of 9), Other Other 968 0.34 Functional ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 680 0.35 Functional ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 130 0.39 Functional ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 6270 0.29 Functional ≤ 10μM
Z81115-1-O KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other Other 7320 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 289 0.37 Binding ≤ 1μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 289 0.37 Binding ≤ 10μM
CHLE_HORSE P81908 Cholinesterase, Horse 9200 0.28 Binding ≤ 10μM
Z80682 Z80682 A549 (Lung Carcinoma Cells) 6270 0.29 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 680 0.35 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 130 0.39 Functional ≤ 10μM
Z81115 Z81115 KB (Squamous Cell Carcinoma) 7320 0.29 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 800 0.34 Functional ≤ 10μM
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 968 0.34 Functional ≤ 10μM
Z50420 Z50420 Trypanosoma Brucei Brucei 1100 0.33 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.