cis-Chlorogenic acid
기본 정보
- CAS
15016-60-1- 표준 SMILES
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O- InChIKey
CWVRJTMFETXNAD-XYXZIBEBSA-N- 분자식
- C16H18O9
- 평균 분자량
- 354.31 g/mol
- 단동위원소 질량
- 354.09508215
개요
5-O-cis-caffeoylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with the 5-hydroxy group of (+)-quinic acid. It has a role as a metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a cis-caffeic acid and a (+)-quinic acid.
이름 및 식별자
- 우선 이름
- cis-Chlorogenic acid
- IUPAC
- (1S,3R,4R,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
이름 및 동의어
cis-chlorogenic acidChlorogenic acid, (Z)-037SV4IVWA15016-60-1Cyclohexanecarboxylic acid, 3-(((2Z)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-DTXSID601315272(1S,3R,4R,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid(1S,3R,4R,5R)-3-((Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acidRefChem:1081957DTXCID201745174Cis-5-Caffeoylquinic acidUNII-037SV4IVWA
이름 더 보기
(1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid(1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acidcis-5-O-caffeoylquinic acidNSC70861NSC407296Cyclohexanecarboxylic acid,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-(Z)-chlorogenic acid5-O-cis-caffeoylquinic acid
데이터베이스 식별자
- CAS
15016-60-1、327-97-9- PubChem CID
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 534
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
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