Epicatechin 3-O-p-hydroxybenzoate
기본 정보
- CAS
108907-45-5- 표준 SMILES
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)cc1- InChIKey
HRNWMQFQEGGZKA-NHCUHLMSSA-N- 분자식
- C22H18O8
- 평균 분자량
- 410.4 g/mol
- 단동위원소 질량
- 410.10016753
개요
3-(4-Hydroxybenzoyl)epicatechin is a catechin.
이름 및 식별자
- 우선 이름
- Epicatechin 3-O-p-hydroxybenzoate
- IUPAC
- [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxybenzoate
이름 및 동의어
Epicatechin 3-O-p-hydroxybenzoate108907-45-53-(4-Hydroxybenzoyl)epicatechin(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 4-hydroxybenzoate[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxybenzoateSCHEMBL9104133CHEBI:193176HRNWMQFQEGGZKA-NHCUHLMSSA-NDTXSID101116803LMPK12020106(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 4-hydroxybenzoate(2R,3R)-3,5,7,3',4'-Pentahydroxyflavan 3-O-p-hydroxybenzoate
이름 더 보기
(-)-(2R, 3R)-5,7-dihydroxy-2-(3,4-dihydroxyphenyl)chroman-3-yl 4-hydroxybenzoate(-)-(2R,3R)-5,7-dihydroxy-2-(3,4-dihydroxyphenyl)chroman-3-yl 4-hydroxybenzoate(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 4-hydroxybenzoate
데이터베이스 식별자
- CAS
108907-45-5- PubChem CID
- 10764037
- DTXSID
DTXSID101116803- ChEBI
CHEBI:193176- Nikkaji
- J934.352K
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 592
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
화학 및 산업
약리 정보
Cellular LocationsMembrane
관련 반응
3건
화합물 노트
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