Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]
基本情報
- CAS
195206-61-2- 標準SMILES
COc1cc(/C=C/C(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)c(OC)c(O)c5c4=O)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O- InChIKey
VSMDAOFJZBLZOB-JFGFUAGISA-N- 分子式
- C43H48O25
- 平均分子量
- 964.8 g/mol
- 単同位体質量
- 964.24846701
概要
Patuletin 3-(2''-apiosyl-[2'''-feruloylgentiobioside]) has been reported in Spinacia oleracea with data available.
名称と識別子
- 優先名称
- Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]
- IUPAC
- [(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
名称と別名
Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]Quercetagetin 6-methyl ether 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside]DTXSID401098202LMPK12112963Patuletin 3-(2''-apiosyl-[2'''-feruloylgentiobioside])Patuletin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside195206-61-23-[[O-D-Apio-beta-D-furanosyl-(1->2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one3-[[O-D-Apio-I(2)-D-furanosyl-(1a2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl-(1a6)]-I(2)-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-onePatuletin 3-O-beta-D-(2''-feruloylglucopyranosyl)(1->6)-[beta-D-apiofuranosyl(1->2)]-beta-D-glucopyranoside
データベース識別子
- CAS
195206-61-2- PubChem CID
- 101714006
- DTXSID
DTXSID401098202
物性
構造計算による物性
- XLogP
- -0.8
- 極性表面積
- 389 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 25
- 回転可能結合数
- 16
- 重原子数
- 68
- 形式電荷
- 0
- 複雑度
- 1,770
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
化学と産業
薬理情報
Cellular LocationsCytoplasm
関連反応
0 件
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