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Salinomycin (from Streptomyces albus)

CAT: 0957-S8129-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S8129-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53003-10-4
Synonyms
Procoxacin
Target
Wnt/beta-catenin
Applications
Cytoskeletal Signaling
Smiles
CCC (C1CCC (C (O1) C (C) C (C (C) C (=O) C (CC) C2C (CC (C3 (O2) C=CC (C4 (O3) CCC (O4) (C) C5CCC (C (O5) C) (CC) O) O) C) C) O) C) C (=O) O
Molecular Formula
C42H70O11
Additionnal Information
Salinomycin, traditionally used as an anti-coccidial drug, has recently been shown to possess anti-cancer and anti-cancer stem cell (CSC) effects.
Storage Conditions
2 years -80 in solvent

Chemical Information

Salinomycin

Salinomycin is a polyketide and a spiroketal. It has a role as an animal growth promotant and a potassium ionophore.

CAS Number53003-10-4
PubChem CID3085092
IUPAC Name(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid
Molecular FormulaC42H70O11
Molecular Weight751.0
XLogP5.7
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count53
Formal Charge0
Complexity1320
SMILES
CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O
InChI
InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1
InChIKey
KQXDHUJYNAXLNZ-XQSDOZFQSA-N
Chemical Structure
2D Structure
2D structure of Salinomycin
CAS: 53003-10-4
CID: 3085092
Formula: C42H70O11
MW: 751.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight751.0
XLogP35.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass750.49181304
Monoisotopic Mass750.49181304
Topological Polar Surface Area161 Ų
Heavy Atom Count53
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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