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Ilexgenin A

CAT: 0804-HY-N6255-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N6255-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ilexgenin A is a pentacyclic triterpenoid, which extracted from Ilex hainanensis Merr. Ilexgenin A can be used for the research of inflammation and cancer[1].
CAS Number
108524-94-3
UNSPSC
12352211
Target
TNF Receptor
Type
Natural Products
Related Pathways
Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ilexgenin-a.html
Purity
98.37
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@@]12C([C@@]3([H])[C@@](CC2)(CC[C@H]([C@]3(O)C)C)C(O)=O)=CC[C@@]4([H])[C@]1(CC[C@]5([H])[C@@]4(CC[C@@H]([C@]5(C)C(O)=O)O)C)C
Molecular Formula
C30H46O6
Molecular Weight
502.68
References & Citations
[1] Zhang L, et al. Ilexgenin A prevents early colonic carcinogenesis and reprogramed lipid metabolism through HIF1α/SREBP-1. Phytomedicine. 2019;63:153011.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ilexgenin A

Ilexgenin A has been reported in Ilex pubescens and Quercus aliena with data available.

CAS Number108524-94-3
PubChem CID21672638
IUPAC Name(3S,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Molecular FormulaC30H46O6
Molecular Weight502.7
XLogP5.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count36
Formal Charge0
Complexity1020
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI
InChI=1S/C30H46O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,17,19-22,31,36H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,19-,20-,21+,22-,25-,26-,27-,28-,29-,30+/m1/s1
InChIKey
UIEGOKVPCRANSU-XUFMHOFVSA-N
Chemical Structure
2D Structure
2D structure of Ilexgenin A
CAS: 108524-94-3
CID: 21672638
Formula: C30H46O6
MW: 502.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.7
XLogP35.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass502.32943918
Monoisotopic Mass502.32943918
Topological Polar Surface Area115 Ų
Heavy Atom Count36
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T2S0501-01Ilexgenin A
MBS5786797Ilexgenin B

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