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Violacein

CAT: 1299-RM-D052401-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D052401-04Size:100 mg
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CAS Number
548-54-9
Synonyms
(E) -3- (5- (5-hydroxy-1H-indol-3-yl) -2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene) indolin-2-one
Molecular Formula
C20H13N3O3
Molecular Weight
343.34
Product Name Synonym
(E) -3- (5- (5-hydroxy-1H-indol-3-yl) -2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene) indolin-2-one

Chemical Information

Violacein

Violacein is a member of the class of hydroxyindoles resulting from the formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 5-hydroxy-1H-indol-3-yl group, where the newly-formed double bond has E configuration. It is a purple chromobacterial pigment that has antibacterial, antifungal, antiprotozoan, and anticancer properties. It has a role as an antibacterial agent, an antineoplastic agent, an antifungal agent, an apoptosis inducer and a bacterial metabolite. It is a member of pyrroles, a member of oxindoles, an olefinic compound and a member of hydroxyindoles. It is functionally related to a proviolacein.

CAS Number548-54-9
PubChem CID11053
IUPAC Name3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
Molecular FormulaC20H13N3O3
Molecular Weight343.3
XLogP2.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity753
SMILES
C1=CC2=C(C(=O)N=C2C=C1)C3=C(NC(=C3)C4=CNC5=C4C=C(C=C5)O)O
InChI
InChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H
InChIKey
SHLJIZCPRXXHHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Violacein
CAS: 548-54-9
CID: 11053
Formula: C20H13N3O3
MW: 343.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.3
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass343.09569129
Monoisotopic Mass343.09569129
Topological Polar Surface Area101 Ų
Heavy Atom Count26
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119809-01Violacein
MBS1280461-01Recombinant Chromobacterium violaceum Violacein biosynthesis protein vioB (vioB), partial

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