Demethylmedicarpin (BioDeep_00000270089)

PANOMIX_OTCML-2023

代谢物信息卡片

3,9-Dihydroxypterocarpan

化学式: C15H12O4 (256.0735552)
中文名称: 3,9-二羟基紫檀碱
谱图信息: 最多检出来源 Homo sapiens(lipidomics) 0.13%

分子结构信息

SMILES: c1(ccc2c(c1)OC[C@H]1[C@@H]2Oc2c1ccc(c2)O)O
InChI: InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2

描述信息

(6ar,11ar)-3,9-dihydroxypterocarpan is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Thus, (6ar,11ar)-3,9-dihydroxypterocarpan is considered to be a flavonoid lipid molecule (6ar,11ar)-3,9-dihydroxypterocarpan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (6ar,11ar)-3,9-dihydroxypterocarpan can be found in a number of food items such as bayberry, sweet bay, agave, and red bell pepper, which makes (6ar,11ar)-3,9-dihydroxypterocarpan a potential biomarker for the consumption of these food products.

同义名列表

3 个代谢物同义名

3,9-Dihydroxypterocarpan; Demethylmedicarpin; Demethyl medicarpin

数据库引用编号

20 个数据库交叉引用编号

ChEBI: CHEBI:15648
KEGG: C04271
PubChem: 162933
Metlin: METLIN48118
ChEMBL: CHEMBL1098413
LipidMAPS: LMPK12070029
KNApSAcK: C00009610
foodb: FDB012305
CAS: 61135-91-9
MoNA: MetaboBASE0351
MoNA: MetaboBASE0350
MoNA: MetaboBASE0349
MoNA: MetaboBASE0348
MoNA: MetaboBASE0347
Flavonoid: FLID1ANS0002
PubChem: 6934
3DMET: B01728
NIKKAJI: J346.404K
LOTUS: LTS0134551
wikidata: Q27098166

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)

8 个相关的物种来源信息

48131 - Amorpha fruticosa: 10.1016/S0031-9422(97)00960-6
3818 - Arachis hypogaea: 10.1111/J.1365-3059.1995.TB01679.X
132433 - Calopogonium mucunoides: 10.1515/ZNC-1985-7-805
1237573 - Erythrina abyssinica: 10.1016/J.BMCL.2010.09.077
556509 - Erythrina fusca: 10.1016/J.FITOTE.2010.01.009
647292 - Erythrina poeppigiana:
648866 - Grona styracifolia: 10.1016/J.PHYTOCHEM.2007.02.015
3885 - Phaseolus vulgaris: 10.1016/0031-9422(80)85139-9

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

Phi Hung Nguyen, Thi Ngoc Anh Nguyen, Keon Wook Kang, Derek Tantoh Ndinteh, Joseph Tanyi Mbafor, Young Ran Kim, Won Keun Oh. Prenylated pterocarpans as bacterial neuraminidase inhibitors. Bioorganic & medicinal chemistry. 2010 May; 18(9):3335-44. doi: 10.1016/j.bmc.2010.03.005. [PMID: 20363636]
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