基本情報
- CAS
26811-41-6- 標準SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12- InChIKey
PEFNSGRTCBGNAN-QNDFHXLGSA-N- 分子式
- C21H20O11
- 平均分子量
- 448.4 g/mol
- 単同位体質量
- 448.10056145
概要
Luteolin 7-O-beta-D-glucoside is a glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, a trihydroxyflavone, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a luteolin. It is a conjugate acid of a luteolin 7-O-beta-D-glucoside(1-).
名称と識別子
- 優先名称
- Luteolin 7-O-glucoside
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- 英語名
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one mono-beta-D-glucopyranoside
- 分子式
- C21H20O11
- 分子量
- 448.3769
名称と別名
CynarosideLuteoloside5373-11-5Luteolin 7-glucosideCinarosideLuteolin 7-O-glucosideLuteolin-7-glucoside7-GlucoluteolinGlucoluteolin7-GlucosylluteolinLuteolin 7-monoglucosideLuteolin 7-O-beta-D-glucoside
名称をさらに表示
Luteolin glucosideLuteolin monoglucoside2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one mono-beta-D-glucopyranoside
Luteolin 7-O-glucopyranosidenephrocizinNEPHROCIZINE98J6XDS46I7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavoneluteolin 7-O-beta-d-glucopyranosideEINECS 226-365-8luteolin-7-beta-D-glucoside
データベース識別子
- CAS
26811-41-6、5373-11-5- PubChem CID
- 5280637
- DTXSID
DTXSID50949617- ChEMBL
CHEMBL233929- ChEBI
CHEBI:27994- UNII
- 98J6XDS46I
- EC Number
- 226-365-8
- Nikkaji
- J94.450E
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 186 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 11
- 回転可能結合数
- 4
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 714
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point256 - 258 °C
Physical DescriptionSolid
安全と法規制
GHS分類
GHS ClassificationNot Classified
危険有害性情報
Regulatory Information4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
化学と産業
薬理情報
Cellular LocationsCytoplasm
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