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Isothymusin

CAT: 0013-GTR19181255Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181255Size:5 mg
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Description
Isothymusin demonstrates antimycobacterial activity against Mycobacterium tuberculosis with an MIC of 200 μg/mL and acts as an antioxidant, showing radical scavenging activity against DPPH with an IC50 of 7.7 μg/mL. This small molecule is a useful research tool for studying tuberculosis pathogenesis and oxidative stress in vitro.
CAS Number
98755-25-0
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
COc1c (O) c2oc (cc (=O) c2c (O) c1OC) -c1ccc (O) cc1
Molecular Formula
C17H14O7
Molecular Weight
330.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isothymusin

isothymusin has been reported in Prunus cerasus, Isodon eriocalyx, and other organisms with data available.

CAS Number98755-25-0
PubChem CID630253
IUPAC Name5,8-dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
Molecular FormulaC17H14O7
Molecular Weight330.29
XLogP2.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity497
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3
InChIKey
IODGQWWTJYDCLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isothymusin
CAS: 98755-25-0
CID: 630253
Formula: C17H14O7
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass330.07395278
Monoisotopic Mass330.07395278
Topological Polar Surface Area105 Ų
Heavy Atom Count24
Formal Charge0
Complexity497
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

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