기본 정보
- CAS
125535-06-0- 표준 SMILES
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21- InChIKey
YSORAXGDTRAEMV-CGXGPNJMSA-N- 분자식
- C21H20O12
- 평균 분자량
- 464.4 g/mol
- 단동위원소 질량
- 464.09547607
개요
(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid is a beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2S)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits inhibitory activity for rat lens aldose reductase. It has a role as a metabolite and an EC 1.1.1.21 (aldehyde reductase) inhibitor. It is a member of 4'-hydroxyflavanones, a beta-D-glucosiduronic acid, a trihydroxyflavanone and a member of 3'-hydroxyflavanones. It is functionally related to an eriodictyol.
이름 및 식별자
- 우선 이름
- (2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
- IUPAC
- (2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- 영어명
- Eriodictyol 7-O-glucuronide
- 분자식
- C21H20O12
- 분자량
- 464.38
이름 및 동의어
(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acidCHEBI:65859(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranosiduronic acid(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6S)-6-(((2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidRefChem:934786Eriodictyol 7-O-glucuronide125535-06-0orb1681210HY-N12025LMPK12140372TN5522
이름 더 보기
1Eriodictyol 7-O-glucuronideEriodictyol 7-O-β-D-glucuronideβ-D-Glucopyranosiduronic acid, (2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl
AKOS040762723FS-8376DA-73177CS-0890644Q27134351(2S,3S,4S,5R,6S)-6-(((S)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxochroman-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acidNCGC00385251-01!(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 732
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
물리화학적 성질
- 끓는 점
- 894.7 · 894.7±65.0 °C(Predicted)
- 밀도
- 1.758 · 1.758±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.74 · 2.74±0.70(Predicted)
화학 및 산업
공급사16 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
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