기본 정보
- CAS
148766-36-3- 표준 SMILES
OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
HSTZMXCBWJGKHG-BUFXCDORSA-N- 분자식
- C20H22O8
- 평균 분자량
- 390.4 g/mol
- 단동위원소 질량
- 390.13146766
개요
Cis-piceid is a stilbenoid that is cis-resveratrol substituted at position 3 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a beta-D-glucoside, a polyphenol, a stilbenoid and a monosaccharide derivative. It is functionally related to a cis-resveratrol.
이름 및 식별자
- 우선 이름
- cis-Piceid
- IUPAC
- (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- cis-Polydatin 〔cis-Piceid〕
- 분자식
- C20H22O8
- 분자량
- 390.38
이름 및 동의어
cis-Piceid148766-36-3CHEBI:76155(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolDTXSID001318535(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-((Z)-2-(4-hydroxyphenyl)ethenyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:1081977DTXCID901748343cis-Resveratrol 3-glucosideZ-PICEID3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl beta-D-glucopyranoside
이름 더 보기
cis-Polydatin 〔cis-Piceid〕β-D-Glucopyranoside, 3-hydroxy-5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]phenyl
beta-D-Glucopyranoside, 3-hydroxy-5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]phenyl(2S,3R,4S,5S,6R)-2-(3-hydroxy-5-((Z)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolcis-Resveratrol 3-O-glucosideZ-resveratrol 3-beta-glucosideCHEMBL509386orb1991050SCHEMBL29376749SCHEMBL30445852
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 506
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
Melting Point126 - 129 °C
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 707.7 · 707.7±60.0 °C(Predicted)
- 밀도
- 1.521 · 1.521±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.21 · 9.21±0.10(Predicted)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
공급사4 곳
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
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