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340,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items Karacoline - Moligand™, ≥98% , CAS No.39089-30-0
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol | Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)- | Carmicheline | CHEBI:6113 | Karakoline | (1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-me
Storage
Protected from light,Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
Specifications Synonyms
20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol | Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)- | Carmicheline | CHEBI:6113 | Karakoline | (1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-me
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Karacoline is PPARγ activator and ERK/JNK MAPK inhibitor. Karacoline restricts ROS production, maintains mitochondrial membrane potential, and inhibits pulmonary cell apoptosis. Karacoline inhibits NF-κB pathway activation, reduces acetylation levels of p
Storage
Protected from light,Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles
CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)C
IUPAC Name
(1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
InChIKey
HKQZUYOVMYOFIT-VHNBHZRZSA-N
INCHI
1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1
Isomeric SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)C
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Lipids and lipid-like molecules Class Prenol lipids Subclass Diterpenoids Intermediate Tree Nodes Not available Direct Parent Aconitane-type diterpenoid alkaloids Alternative Parents Quinolidines Alkaloids and derivatives Azepanes Piperidines Tertiary alcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Polyols Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aliphatic heteropolycyclic compounds Substituents Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - Piperidine - Cyclic alcohol - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Dialkyl ether - Polyol - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Amine - Organopnictogen compound - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom. External Descriptors tertiary alcohol - tertiary amino compound - secondary alcohol - alkaloid - bridged compound - organonitrogen heterocyclic compound Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO : 25 mg/mL (66.22 mM; Need ultrasonic) Sensitivity Light sensitive Molecular Weight 377.500 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 377.257 Da Monoisotopic Mass 377.257 Da Topological Polar Surface Area 73.200 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 673.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 11 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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