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Nomilin

CAT: 0931-T3672-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T3672-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1063-77-0
Target
MAPK
Related Pathways
MAPK
Purity
0.9984
Bioactivity
Nomilin is naturally occurring triterpenoids, have immunomodulatory activity.
Smiles
CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)c3ccoc3)C12C
Molecular Formula
C28H34O9
Molecular Weight
514.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nomilin

Nomilin is a limonoid with formula C28H34O9. It is commonly found in edible citrus fruits including lemons, limes, oranges, and grapefruits. The compound exhibits a variety of biological and pharmacological activities including anticancer, antiinflammatory, antiobesity, and antiviral. It has a role as a geroprotector, an antioxidant, a hypoglycemic agent, an antineoplastic agent, an angiogenesis inhibitor, an immunomodulator, an anti-HIV-1 agent, an anti-inflammatory agent, an apoptosis inducer, an anti-obesity agent, a plant metabolite, a pregnane X receptor agonist and a skin lightening agent. It is a member of furans, a lactone, a pentacyclic triterpenoid, an epoxide, an organic heteropentacyclic compound, a limonoid and an acetate ester.

CAS Number1063-77-0
PubChem CID72320
IUPAC Name[(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate
Molecular FormulaC28H34O9
Molecular Weight514.6
XLogP2.6
Topological Polar Surface Area122
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity1080
SMILES
CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C
InChI
InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1
InChIKey
KPDOJFFZKAUIOE-WNGDLQANSA-N
Chemical Structure
2D Structure
2D structure of Nomilin
CAS: 1063-77-0
CID: 72320
Formula: C28H34O9
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass514.22028266
Monoisotopic Mass514.22028266
Topological Polar Surface Area122 Ų
Heavy Atom Count37
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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