Isoliquiritin

HCID 5318591CAS 5041-81-6

기본 정보

표준 SMILES: O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1O
InChIKey: YNWXJFQOCHMPCK-LXGDFETPSA-N
분자식: C21H22O9
평균 분자량: 418.4 g/mol
단동위원소 질량: 418.12638228

개요

Isoliquiritin is a monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 2' and 4' and a beta-D-glucopyranosyloxy group at position 4 respectively. It has a role as an antineoplastic agent and a plant metabolite. It is a beta-D-glucoside, a member of chalcones, a member of resorcinols and a monosaccharide derivative. It is functionally related to a trans-chalcone.

이름 및 식별자

우선 이름: Isoliquiritin
IUPAC: (E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
영어명: neoisoliquiritin
분자식: C21H22O9
분자량: 418.39

이름 및 동의어

Isoliquiritin5041-81-6IsoliquiritosideUNII-2Y348H1V4W4-[(1E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenyl beta-D-glucopyranosideCHEBI:808394-beta-D-glucopyranosyloxy-2',4'-dihydroxy-trans-chalcone2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-(beta-D-glucopyranosyloxy)phenyl)-, (2E)-4-((1E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl)phenyl beta-D-glucopyranosideRefChem:402937014-39-3MFCD00272145

이름 더 보기

neoisoliquiritin1-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-1-(2,4-Dihydroxyphenyl)-3-[4-(beta-D-glucopyranosyloxy)phenyl]-2-propen-1-one2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[4-(β-D-glucopyranosyloxy)phenyl]- (9CI)

2Y348H1V4WNeoisoliquiritigenin(E)-1-(2,4-Dihydroxyphenyl)-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)prop-2-en-1-one(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-oneIsoliquiriiinIsoliquiritin?2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-, (2E)-

데이터베이스 식별자

CAS: 5041-81-6、7014-39-3
PubChem CID: 5318591
DTXSID: DTXSID901317746
ChEMBL: CHEMBL599763
ChEBI: CHEBI:80839
UNII: 2Y348H1V4W
Nikkaji: J2.434.257C、J27.434H

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 157 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 9
회전 가능 결합 수: 6
무거운 원자 수: 30
형식 전하: 0
복잡도: 589

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

물리화학적 성질

녹는점: 230 · 230-232℃
끓는 점: 743.5 · 743.5±60.0 °C(Predicted)
밀도: 1.528 · 1.528
산도 계수 (pKa): 7.36 · 7.36±0.35(Predicted)

화학 및 산업

공급사50 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

上海纯优生物科技有限公司18302135232 18302135232 · [email protected]

成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]

江苏永健医药科技有限公司17701422015

연결된 노트

불러오는 중…