基本情報
- CAS
152390-63-1- 標準SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12- InChIKey
LKZDFKLGDGSGEO-MUKUJDNJSA-N- 分子式
- C27H30O16
- 平均分子量
- 610.5 g/mol
- 単同位体質量
- 610.15338487
概要
Camelliaside C has been reported in Camellia sinensis and Meconopsis quintuplinervia with data available.
名称と識別子
- 優先名称
- Camelliaside C
- IUPAC
- 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
- 英語名
- camelliaside C
- 分子式
- C27H30O16
- 分子量
- 610.52
名称と別名
Camelliaside C152390-63-1DTXSID501650123-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneKaempferol 3-O-beta-D-galactopyranosyl-(1-2)-beta-D-glucopyranoside3-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneRefChem:123106DTXCID2087503LMPK121117303-((2-O-beta-D-Galactopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-2-Benzopyran-4-one, 3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
名称をさらに表示
4H-1-Benzopyran-4-one, 3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosideKaempferol 3-O-beta-D-galactopyranosyl-(1-2)-beta-D-glucopyranoside; 2''-O-beta-D-Galactopyranosylastragalin
物性
構造計算による物性
- XLogP
- -0.9
- 極性表面積
- 266 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 16
- 回転可能結合数
- 7
- 重原子数
- 43
- 形式電荷
- 0
- 複雑度
- 1,000
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
物理化学的性質
- 融点
- 200 · 200-202 °C(Solv: methanol (67-56-1))
- 沸点
- 995 · 995.0±65.0 °C(Predicted)
- 比重(密度)
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 6.2 · 6.20±0.40(Predicted)
化学と産業
薬理情報
MeSH Pharmacological ClassificationCompounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
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化合物ノート
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