Luteolin 7-O-malonylglucoside

HCID 5281669
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기본 정보

CAS
98767-38-5
표준 SMILES
O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
RNDGJCZQVKFBPI-ASDZUOGYSA-N
분자식
C24H22O14
평균 분자량
534.4 g/mol
단동위원소 질량
534.10095537

개요

Luteolin 7-O-(6-O-malonyl-beta-D-glucoside) is a glycosyloxyflavone that is luteolin substituted by a 6-O-malonyl-beta-D-glucopyranosyl moiety at position 7 via glycosidic linkage. It is a beta-D-glucoside, a trihydroxyflavone, a malonate ester and a glycosyloxyflavone. It is functionally related to a luteolin.

이름 및 식별자

우선 이름
Luteolin 7-O-malonylglucoside
IUPAC
3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
영어명
luteolin 7-O-(6-O-malonyl-beta-D-glucoside)
분자식
C24H22O14
분자량
534.42308

이름 및 동의어

Luteolin 7-O-(6''-malonylglucoside)98767-38-5DTXSID804151733-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid3-(((2R,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-3-oxopropanoic acidRefChem:1088615Luteolin 7-O-malonylglucosideDTXCID703660243-(((3S,4S,6S)-6-(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-3-oxopropanoic acidluteolin 7-O-(6-O-malonyl-beta-D-glucoside)luteolin 7-O-(6-malonyl-beta-D-glucoside)luteolin 7-O-beta-D-(6''-O-malonyl) glucopyranoside
이름 더 보기
Luteolin 7-O-β-D-(6''-O-malonyl) glucopyranoside
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranosideLuteolin 7-malonylglucosideLuteoline-7-malonylglucosideCHEBI:6579CHEMBL5416249SCHEMBL30491149lutelin-7-O-6''-malonylglucosideluteolin 7-O-6''-malonylglucoside

데이터베이스 식별자

CAS
98767-38-5
PubChem CID
5281669
DTXSID
DTXSID80415173
ChEMBL
CHEMBL5416249
ChEBI
CHEBI:6579
Nikkaji
J2.507.153K

물성

구조 계산 물성

XLogP
0.2
극성 표면적
230 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
14
회전 가능 결합 수
8
무거운 원자 수
38

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

화학 및 산업

공급사9 곳

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
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上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]

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