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Punicalin

CAT: 1410-M20184-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M20184-02Size:1 mL x 10 mM in DMSO
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Description
Punicalin exerts anti-inflammatory antioxidative and anti-hepatotoxic activities it shows inhibitory activity on HIV-1 reverse transcriptase in a dose-dependent manner with an IC50 of 0.11 microg/ml (0.14 microM) .
CAS Number
65995-64-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
782.52
Molecular Formula
C34H22O22
Notes
Research use only, not for human use.
Receptor
HIV-1

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

Related Products

CatalogName
M19372-01Punicalagin

Alternative Products

CatalogName
MBS387013-01Punicalin
A12106-10Punicalin 10mg
HY-N0639RPunicalin (Standard)
A12106-25Punicalin 25mg
A12106-50Punicalin 50mg
A12106-1Punicalin 1mg
A12106-100Punicalin 100mg
A12106-5Punicalin 5mg
A12106-10mM-DPunicalin 10mM * 1mL in DMSO

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