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Deoxyviolacein

CAT: 0013-GTR19191652-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191652-01Size:500 µg
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Description
Deoxyviolacein is a bacterial bisindole metabolite with demonstrated bioactivity in research settings. It exhibits in vitro anticancer effects against hepatocellular carcinoma cells and shows antibacterial activity against Gram-positive bacteria, as well as antifungal properties.
CAS Number
5839-61-2
Field of Research
Infectious Disease & Virology
Smiles
O=C1NC (=C\C1=C1/C (=O) Nc2ccccc12) c1c[nH]c2ccccc12 |c:3|
Molecular Formula
C20H13N3O2
Molecular Weight
327.343
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deoxyviolacein

Deoxyviolacein is a member of the class of oxindoles resulting from 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 1H-indol-3-yl group, where the newly-formed double bond has E configuration. It has a role as an antibacterial agent, an antifungal agent and a bacterial metabolite. It is a member of pyrroles, a member of oxindoles and an olefinic compound. It is functionally related to a proviolacein.

CAS Number5839-61-2
PubChem CID135494300
IUPAC Name3-[2-hydroxy-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
Molecular FormulaC20H13N3O2
Molecular Weight327.3
XLogP3.1
Topological Polar Surface Area81.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity720
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CC(=C(N3)O)C4=C5C=CC=CC5=NC4=O
InChI
InChI=1S/C20H13N3O2/c24-19-13(18-12-6-2-4-8-16(12)22-20(18)25)9-17(23-19)14-10-21-15-7-3-1-5-11(14)15/h1-10,21,23-24H
InChIKey
JHKIFAKMDLEWJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deoxyviolacein
CAS: 5839-61-2
CID: 135494300
Formula: C20H13N3O2
MW: 327.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.3
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass327.100776666
Monoisotopic Mass327.100776666
Topological Polar Surface Area81.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity720
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
D045-0.5MGDeoxyviolacein

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