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Moringin

CAT: 0931-TN4583-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4583-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73255-40-0
Target
PPAR, Nrf2, IL Receptor, Caspase, Bcl-2 Family, gp120/CD4, GSK-3, COX, Wnt/beta-catenin, TRP/TRPV Channel, p53, TNF
Related Pathways
Cytoskeletal Signaling, Proteases/Proteasome, PI3K/Akt/mTOR signaling, DNA Damage/DNA Repair, Apoptosis, Metabolism, Stem Cells, Immunology/Inflammation, Membrane transporter/Ion channel, Neuroscience
Purity
0.9988
Bioactivity
Moringin is an isothiocyanate obtained from myrosinase-mediated hydrolysis of the glucosinolate precursor glucoMoringin present in Moringa oleifera seeds. Moringin has anti-inflammatory and antioxidative properties.
Smiles
O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C2=CC=C(CN=C=S)C=C2
Molecular Formula
C14H17NO5S
Molecular Weight
311.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4(Alpha-L-Rhamnosyloxy)-Benzyl Isothiocyanate
CAS Number73255-40-0
PubChem CID153557
IUPAC Name(2S,3R,4R,5R,6S)-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol
Molecular FormulaC14H17NO5S
Molecular Weight311.36
XLogP1.9
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity382
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CN=C=S)O)O)O
InChI
InChI=1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3/t8-,11-,12+,13+,14-/m0/s1
InChIKey
QAZIHHJTZPNRCM-CNJBRALLSA-N
Chemical Structure
2D Structure
2D structure of 4(Alpha-L-Rhamnosyloxy)-Benzyl Isothiocyanate
CAS: 73255-40-0
CID: 153557
Formula: C14H17NO5S
MW: 311.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.36
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass311.08274382
Monoisotopic Mass311.08274382
Topological Polar Surface Area124 Ų
Heavy Atom Count21
Formal Charge0
Complexity382
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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