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Kansuinine B

CAT: 0804-HY-126420-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126420-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Kansuinine B inhibits IL-6-induced Stat3 activation. Kansuinine B possesses anti-viral activity and could be used in the study for COVID-19[1][2][3].
CAS Number
57685-46-8
UNSPSC
12352005
Target
Interleukin Related; SARS-CoV
Type
Natural Products
Related Pathways
Anti-infection; Immunology/Inflammation
Applications
COVID-19-anti-virus
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/kansuinine-b.html
Purity
99.0
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(C1(C)C)[C@H](O)[C@@H](OC(C2=CC=CC=C2)=O)C([C@H](OC(C3=CC=CC=C3)=O)[C@]([C@@H](OC(C)=O)[C@](C)(O)[C@@H]4O)([H])[C@@]4(OC(C)=O)C([C@@H](C)[C@@]5([H])[C@@]1([H])O5)=O)=C
Molecular Formula
C38H42O14
Molecular Weight
722.73
References & Citations
[1]Jong Sun Chang, et al. Kansuinine A and Kansuinine B from Euphorbia kansui L. inhibit IL-6-induced Stat3 activation. Planta Med. 2010 Oct;76 (14) :1544-9.|[2]Xiaoyun Shu, et al. Bioassay-guided separation of the proinflammatory constituents from the roots of Euphorbia kansui. J Nat Med. 2010 Jan;64 (1) :98-103.|[3]YASER DAANIAL , et al. PROMISING COMPOUNDS FOR TREATMENT OF COVID-19. VAWKUM Transactions on Computer Sciences, ISSN (e) :2308-8168, ISSN (p) : 2411-6335. Volume 17, Number 1, January-June, 2020.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
IL-6

Chemical Information

Kansuinin B

Kansuinin B is an organooxygen compound. It is functionally related to a tetracarboxylic acid.

CAS Number57685-46-8
PubChem CID44575957
IUPAC Name[(1S,3S,4R,6R,9R,10S,12R,13S,14R,15R,16S)-1,14-diacetyloxy-10-benzoyloxy-9,15,16-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl] benzoate
Molecular FormulaC38H42O14
Molecular Weight722.7
XLogP2.1
Topological Polar Surface Area213
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count52
Formal Charge0
Complexity1460
SMILES
C[C@H]1[C@@H]2[C@H](O2)C(C(=O)[C@@H]([C@H](C(=C)[C@@H]([C@H]3[C@H]([C@]([C@@H]([C@@]3(C1=O)OC(=O)C)O)(C)O)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)(C)C
InChI
InChI=1S/C38H42O14/c1-18-26(50-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,47)35(46)38(24,52-21(4)40)29(42)19(2)28-32(49-28)36(5,6)30(43)25(41)27(18)51-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28+,31+,32-,35-,37-,38+/m0/s1
InChIKey
JFOILMZFESGPDU-AOFCAHJOSA-N
Chemical Structure
2D Structure
2D structure of Kansuinin B
CAS: 57685-46-8
CID: 44575957
Formula: C38H42O14
MW: 722.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight722.7
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass722.25745601
Monoisotopic Mass722.25745601
Topological Polar Surface Area213 Ų
Heavy Atom Count52
Formal Charge0
Complexity1460
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

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