Ferulic acid 4-glucoside (BioDeep_00000017728)

human metabolite PANOMIX_OTCML-2023

代谢物信息卡片

(2E)-3-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid

化学式: C16H20O9 (356.110727)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
InChI: InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1

描述信息

Ferulic acid 4-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Ferulic acid 4-glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Ferulic acid 4-glucoside can be found in a number of food items such as redcurrant, gooseberry, highbush blueberry, and blackcurrant, which makes ferulic acid 4-glucoside a potential biomarker for the consumption of these food products.
(2E)-3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]acrylic acid is a glycoside.
(E)-4-Hydroxy-3-methoxycinnamic acid 4-O-|A-D-glucopyranoside is a natural product found in Ribes uva-crispa, Aristolochia kaempferi, and other organisms with data available.
Lavandoside is an active compound found from Lavandula spica flowers[1].

同义名列表

28 个代谢物同义名

(2E)-3-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid; (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid; (2E)-3-(3-Methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate; 2-Propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]-, (2E)-; (2E)-3-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-2-propenoic acid; (2E)-3-[4-(β-D-Glucopyranosyloxy)-3-methoxyphenyl]-2-propenoic acid; (E)-4-HYDROXY-3-METHOXYCINNAMIC ACID 4-O-| cent-D-GLUCOPYRANOSIDE; (E)-4-Hydroxy-3-methoxycinnamic acid 4-O-|A-D-glucopyranoside; 4-Hydroxy-3-methoxycinnamic acid 4-O-|A-D-glucopyranoside; 4-hydroxy-3-methoxycinnamic acid 4-O-b-D-glucopyranoside; trans-4-O-beta-D-Glucopyranosylferulic acid; trans-4-O-β-D-Glucopyranosylferulic acid; trans-p-feruloyl-beta-D-glucopyranoside; Ferulic acid 4-O-beta-D-glucopyranoside; Ferulic acid 4-O-beta-glucopyranoside; (E)-Ferulic acid 4-O-beta-D-glucoside; trans-Ferulic acid 4-beta-D-glucoside; Ferulic acid 4-O-β-D-glucopyranoside; trans-p-Feruloyl-β-D-glucopyranoside; trans-Ferulic acid-4-beta-glucoside; trans-Ferulic acid 4-β-D-glucoside; Ferulic acid 4-O-β-glucopyranoside; (E)-Ferulic acid 4-O-β-D-glucoside; trans-Ferulic acid-4-β-glucoside; Ferulic acid 4-O-glucoside; Ferulic acid 4-glucoside; Ferulate 4-glucoside; Lavandoside

数据库引用编号

10 个数据库交叉引用编号

ChEBI: CHEBI:139435
PubChem: 13916049
HMDB: HMDB0301717
ChEMBL: CHEMBL3403684
foodb: FDB000256
chemspider: 10212167
CAS: 117405-51-3
CAS: 14364-12-6
CAS: 537-98-4
medchemexpress: HY-W047187

分类词条

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

23 个相关的物种来源信息

158550 - Aristolochia kaempferi: 10.1248/BPB.23.1216
4442 - Camellia sinensis: 10.1248/CPB.56.1297
4072 - Capsicum annuum: 10.1016/S0031-9422(03)00282-6
3369 - Cryptomeria japonica: 10.1248/CPB.31.919
82096 - Eleutherococcus senticosus: 10.1007/S10600-011-9773-Z
3262 - Equisetum hyemale: 10.1007/S10600-011-9934-0
3746 - Fragaria: 10.1016/S0031-9422(00)80722-0
9606 - Homo sapiens: -
39329 - Lavandula angustifolia: 10.1007/S10600-008-9005-3
39331 - Lavandula latifolia: 10.1007/S10600-008-9005-3
61077 - Lupinus mexicanus: 10.1016/S0031-9422(03)00076-1
3882 - Onobrychis viciifolia: 10.1021/JF900625R
3330 - Picea glauca: 10.1016/S0031-9422(96)00388-3
71634 - Pinus hartwegii: 10.1016/S0031-9422(03)00076-1
3349 - Pinus sylvestris: 10.1016/0031-9422(96)00122-7
33090 - Plants: -
3758 - Prunus domestica: 10.1271/BBB.68.942
78511 - Ribes nigrum: 10.1016/S0031-9422(00)80722-0
175228 - Ribes rubrum: 10.1016/S0031-9422(00)80722-0
135518 - Ribes uva-crispa: 10.1016/S0031-9422(00)80722-0
23216 - Rubus: 10.1016/S0031-9422(00)80722-0
69266 - Vaccinium corymbosum: 10.1016/S0031-9422(00)80722-0
174251 - Vaccinium dunalianum: 10.1016/J.PHYTOCHEM.2008.06.001

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Duy Thanh Nguyen, Jamila Iqbal, Jianying Han, Gregory K Pierens, Stephen A Wood, George D Mellick, Yunjiang Feng. Chemical constituents from Macleaya cordata (Willd) R. Br. and their phenotypic functions against a Parkinson's disease patient-derived cell line. Bioorganic & medicinal chemistry. 2020 11; 28(21):115732. doi: 10.1016/j.bmc.2020.115732. [PMID: 33065438]
Hye Mi Kim, Su Jung Kim, Ha-Yeong Kim, Byeol Ryu, Hokwang Kwak, Jonghyun Hur, Jung-Hye Choi, Dae Sik Jang. Constituents of the stem barks of Ailanthus altissima and their potential to inhibit LPS-induced nitric oxide production. Bioorganic & medicinal chemistry letters. 2015 Mar; 25(5):1017-20. doi: 10.1016/j.bmcl.2015.01.034. [PMID: 25666824]