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Punicalin

CAT: 0013-GTR19169306-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19169306-03Size:1 ml x 10 mM (in DMSO)
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Description
Punicalin is a bioactive small molecule exhibiting anti-inflammatory, antioxidative, and hepatoprotective properties. It also acts as a dose-dependent inhibitor of HIV-1 reverse transcriptase with an IC50 of 0.14 μM, making it relevant for research in virology, hepatology, and oxidative stress models.
CAS Number
65995-64-4
Product Name Alternative
Anti-inflammatory, inhibit, Inhibitor, HIV-1, HIV Protease, HIVProtease, HBV, hepatitis, Hepatitis B virus, Punicalin, Tannin, virus
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Metabolism Research, Protein Biochemistry
Purity
97.72% (May vary between batches)
Solubility
DMSO:63.125 mg/mL (80.67 mM) ; H2O:100 mg/mL (127.79 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.56 mM)
Smiles
OC1OC2COC (=O) c3cc (O) c (O) c (O) c3-c3c (O) c (O) c4oc (=O) c5c (c (O) c (O) c6oc (=O) c3c4c56) -c3c (O) c (O) c (O) cc3C (=O) OC2C (O) C1O
Molecular Formula
C34H22O22
Molecular Weight
782.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Punicalin

CID 5464368 has been reported in Combretum indicum, Combretum glutinosum, and other organisms with data available.

CAS Number65995-64-4
PubChem CID5464368
IUPAC Name(10S,11R,12R,13R,15R)-3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone
Molecular FormulaC34H22O22
Molecular Weight782.5
XLogP-0.3
Topological Polar Surface Area377
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count22
Rotatable Bond Count0
Heavy Atom Count56
Formal Charge0
Complexity1580
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O
InChI
InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34-/m1/s1
InChIKey
IQHIEHIKNWLKFB-ITTSEVFZSA-N
Chemical Structure
2D Structure
2D structure of Punicalin
CAS: 65995-64-4
CID: 5464368
Formula: C34H22O22
MW: 782.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight782.5
XLogP3-0.3
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count22
Rotatable Bond Count0
Exact Mass782.06027233
Monoisotopic Mass782.06027233
Topological Polar Surface Area377 Ų
Heavy Atom Count56
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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