UCSF

ZINC00000706

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 No

Popular Name: Sanguinarine Sanguinarine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 112025-60-2 , 2447-54-3 , 5578-73-4 , [2447-54-3] , [5578-73-4]

Other Names:

(1,3)-Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl-; BRN 3915507; C20H14NO4; Dimethylenedioxy benzphenanthridine; EINECS 219-503-3; LS-144493; Pseudochelerythrine; Sanguinarin; Sanguinarine; Veadent; Viadent; sanguiritrin; sangvinarin

(1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl-, chloride; C20H14NO4.Cl; LS-144494; Sanguinarine hydrochloride; Sanguinarine, chloride; Sanguinarium chloride; Sanguinarium chloride [USAN:INN]; Viadent; sanguinarine chloride

ium

13-Methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium(1+), 9CI;5-Methyl-2,3:7,8-bis(methylenedioxy)benzo[c]phenanthridinium(1+);Benzophenanthridine alkaloid;Dimethylenedioxy benzphenanthridine;Pseudochelerythrine;Sanguinarin;Sanguinarine ch

13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium

13-Methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium chloride

2447-54-3; C06162; Sanguinarine

2447-54-3; sanguinarine

5578-73-4; D05799; Sanguinarium chloride (USAN/INN)

BRD-K66898851-001-03-7

CHEBI:9022; CHEBI:15064; CHEBI:26601

LS-144495

Macleaya cordata extract

Macleayacordataextract

MFCD00012126

MFCD00064925

MFCE00064925

Sanguinarine (chloride)

SANGUINARINE CHLORIDE

Sanguinarine chloride hydrate

Sanguinarine Chloride [5578-73-4]; (Pseudochelerythrine chloride)

SANGUINARINE CHLORIDE; [5578-73-4]

Sanguinarine Nitrate [4752-86-7]; (Pseudochelerythrine nitrate)

SANGUINARINE NITRATE; [4752-86-7]

SANGUINARINE SULFATE

Sanguinarium Chloride (INN

USAN)

VIADENT

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) 0.80 8.33 -30.58 0 5 1 41 332.335 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 281-285°C Indofine
therap antineoplastic, antiplaque agent MicroSource Spectrum
Patent Database Links EP1459753; EP1666097; EP1674078; EP1676557; EP1790687; EP1882473; US2005043340; US2006154947; US2006251590; US2007178055; US2007190090; WO2006032380; WO2007092811; WO2007101202 ChEBI
Therapy Inhibitor of Mg2+ and Na+/K+-ATPase; isolated from the leaves and stems of Macleaya cordata and microcarpa SMDC MicroSource
UniProt Database Links NCS1_COPJA; NCS2_COPJA; NCS_THLFG; YO087_YEAST ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3162 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 2511.88643 0.31 Functional ≤ 10μM

Rings

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

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