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α-​Chaconine

CAT: 0013-GTR19183907Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183907Size:5 mg
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Description
Alpha-Chaconine is a research compound exhibiting both cytotoxic properties and anti-inflammatory activity through AP-1 suppression, suggesting a potential therapeutic role in sepsis models. Its mechanisms are studied in vitro and in vivo within immunology and oncology research fields.
CAS Number
20562-03-2
Field of Research
Cell Biology, Immunology & Inflammation, Molecular Biology, Neuroscience
Smiles
[H][C@]12CC[C@H] (C) CN1[C@@]1 ([H]) C[C@@]3 ([H]) [C@]4 ([H]) CC=C5C[C@H] (CC[C@]5 (C) [C@@]4 ([H]) CC[C@]3 (C) [C@@]1 ([H]) [C@@H]2C) O[C@]1 ([H]) O[C@H] (CO) [C@@H] (O[C@]2 ([H]) O[C@@H] (C) [C@H] (O) [C@@H] (O) [C@H]2O) [C@H] (O) [C@H]1O[C@]1 ([H]) O[C@@H] (C) [C@H] (O) [C@@H] (O) [C@H]1O
Molecular Formula
C45H73NO14
Molecular Weight
852.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alpha-Chaconine

Alpha-Chaconine is a glycoalkaloid and a steroid saponin.

CAS Number20562-03-2
PubChem CID442971
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC45H73NO14
Molecular Weight852.1
XLogP1.8
Topological Polar Surface Area220
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count60
Formal Charge0
Complexity1570
SMILES
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C
InChI
InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1
InChIKey
TYNQWWGVEGFKRU-AJDPQWBVSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Chaconine
CAS: 20562-03-2
CID: 442971
Formula: C45H73NO14
MW: 852.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight852.1
XLogP31.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass851.50310600
Monoisotopic Mass851.50310600
Topological Polar Surface Area220 Ų
Heavy Atom Count60
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AAA51136-01γ-Chaconine
296859-01A-Chaconine
sc-504776Aα-Chaconine
TRC-C291810-1MGAlpha-Chaconine
TN1374α-​Chaconine
HY-129113Rα-?Chaconine (Standard)
AR-C07075-01Gamma-Chaconine
AR-C07074-01Beta-Chaconine

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