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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag für Lagerartikel Cynarin - ≥98%(HPLC) , CAS No.30964-13-7
Synonyms
1,5-Dicaffeoylquinic acid|1,3-Dicaffeoylquinic acid|1,5-DQA|(1R,3R,4S,5R)-1,3-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid
Storage
Store at 2-8°C,Protected from light,Argon charged
Übersicht
Cynarin ist ein Antichoke-Wirkstoff mit einer Vielzahl von biologischen Aktivitäten, darunter Antioxidantien, Antihistaminika und antivirale Wirkungen
Spezifikationen Synonyme
1,5-Dicaffeoylquinic acid | 1,3-Dicaffeoylquinic acid | 1,5-DQA | (1R,3R,4S,5R)-1,3-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid
Spezifikationen & Reinheit
≥98%(HPLC)
Biochemische und physiologische Mechanismen
In der Artischocke enthaltene Phenolverbindung. Antioxidative und choleretische Eigenschaften. Potenzielles Immunsuppressivum.
Storage
Store at 2-8°C,Protected from light,Argon charged
Namen und Kennungen Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763383
Kanonisches Lächeln
O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O
IUPAC Name
(1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
InChIKey
YDDUMTOHNYZQPO-RVXRWRFUSA-N
INCHI
1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
Isomere SMILES
C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
Erweiterte Daten Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Klasse Organooxygen compounds Subclass Alcohols and polyols Intermediate Tree Nodes Cyclic alcohols and derivatives - Cyclitols and derivatives Direct Parent Quinic acids and derivatives Alternative Parents Coumaric acids and derivatives Cinnamic acid esters Tricarboxylic acids and derivatives Styrenes Catechols Fatty acid esters Cyclohexanols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Enoate esters 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Tricarboxylic acid or derivatives - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Phenol - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound Beschreibung This compound belongs to the class of organic compounds known as quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. External Descriptors quinic acid - alkyl caffeate ester 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-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Empfindlichkeit Light sensitive；Moisture sensitive Molekulargewicht 516.400 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 9 Exact Mass 516.127 Da Monoisotopic Mass 516.127 Da Topological Polar Surface Area 211.000 Ų Heavy Atom Count 37 Formal Charge 0 Complexity 887.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 2 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 2 Covalently-Bonded Unit Count 1
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