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· · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 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
개요
Cynarin is an antichoke agent with a variety of biological activities including antioxidant, antihistamic and antiviral activities.
사양 동의어
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
생화학 및 생리적 메커니즘
Phenolic compound found in artichoke. Antioxidant and choleretic properties. Potential immunosuppressive agent.
보관 조건
Store at 2-8°C,Protected from light,Argon charged
배송
Wet ice
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
이름과 식별자 Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763383
정식 스마일
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
이성체 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
고급 데이터 Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds 분류 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 설명 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 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 감도 Light sensitive；Moisture sensitive 분자량 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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