기본 정보
- CAS
328006-77-5- 표준 SMILES
O=C(O)[C@H]1O[C@@H](Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
LBJLXDMWOKJIPQ-JENRNSKYSA-N- 분자식
- C21H18O13
- 평균 분자량
- 478.4 g/mol
- 단동위원소 질량
- 478.07474062
이름 및 식별자
- 우선 이름
- Quercetin-3'-glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
이름 및 동의어
quercetin-3'-glucuronideQuercetin 3'-o-glucuronideQuercetin 3'-glucuronideHMDB41769328006-77-5UNII-RW0082ZDT2RW0082ZDT2Quercetin 3'-o-beta-glucuronide(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy)oxane-2-carboxylic acidQUERCETIN 3'-O-.BETA.-GLUCURONIDE2-Hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glucopyranosiduronic acid(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
이름 더 보기
beta-D-Glucopyranosiduronic acid, 2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)PHENYL2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-4H-CHROMEN-2-YL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID3,4,5-Trihydroxy-6-(2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy)oxane-2-carboxylate3,4,5-Trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylateRefChem:178114Quercetin-3'-O-glucuronide(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy)oxane-2-carboxylic acid
데이터베이스 식별자
- CAS
328006-77-5- PubChem CID
- 11655911
- DTXSID
DTXSID301341581- UNII
- RW0082ZDT2
- Nikkaji
- J2.119.311I
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 224 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 829
화학 및 산업
약리 정보
Tissue LocationsKidney
Cellular LocationsCytoplasm
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