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Loganetin

CAT: 0013-GTR19169768-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169768-06Size:50 mg
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Description
Loganetin is a non-toxic natural compound exhibiting antibacterial efficacy against multidrug-resistant Gram-negative pathogens. Research applications include in vitro studies exploring its mechanism of action and potential for development as a novel therapeutic agent against resistant infections.
CAS Number
29748-10-5
Product Name Alternative
Inhibit, Loganetin, Inhibitor, Antibacterial, Bacterial
Field of Research
Infectious Disease & Virology
Purity
98.46% (May vary between batches)
Solubility
DMSO:250 mg/mL (1095.34 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (21.91 mM)
Smiles
[H][C@]12C[C@H] (O) [C@H] (C) [C@@]1 ([H]) [C@H] (O) OC=C2C (=O) OC
Molecular Formula
C11H16O5
Molecular Weight
228.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Loganetin

Loganetin is an iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. It has a role as an antibacterial agent and a plant metabolite. It is a methyl ester, a secondary alcohol, a lactol, a cyclopentapyran, an iridoid monoterpenoid and an enoate ester.

CAS Number29748-10-5
PubChem CID10466307
IUPAC Namemethyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Molecular FormulaC11H16O5
Molecular Weight228.24
XLogP0.2
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity324
SMILES
C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O)O
InChI
InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9+,11+/m0/s1
InChIKey
XWOHZIIPBYAMJX-KHBMLBSESA-N
Chemical Structure
2D Structure
2D structure of Loganetin
CAS: 29748-10-5
CID: 10466307
Formula: C11H16O5
MW: 228.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.24
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass228.09977361
Monoisotopic Mass228.09977361
Topological Polar Surface Area76 Ų
Heavy Atom Count16
Formal Charge0
Complexity324
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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