Ostruthin (BioDeep_00000002756)

natural product PANOMIX_OTCML-2023

代谢物信息卡片

2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- (9CI)

化学式: C19H22O3 (298.15688620000003)
中文名称: 欧前胡素
谱图信息: 最多检出来源 Viridiplantae(plant) 0.25%

分子结构信息

SMILES: CC(=CCC/C(=C/Cc1cc2ccc(=O)oc2cc1O)/C)C
InChI: InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+

描述信息

A natural product found in Peucedanum ostruthium.

同义名列表

28 个代谢物同义名

2H-1-Benzopyran-2-one,6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-; Ostruthin; 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- (9CI); 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-; 2H-1-Benzopyran-2-one,6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-; Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- (8CI); 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-chromen-2-one; 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-2-chromenone; 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one; Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-; Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-; 6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-chromen-2-one; 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-coumarin; 6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-2-chromenone; 6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-2-one; 6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-coumarin; 6-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxycoumarin; 6-Geranyl-7-hydroxycoumarin; NCIOpen2_004557; MEGxp0_001198; ACon1_001218; AIDS-073140; Ostruthine; AIDS073140; NSC 83434; 148-83-4; NSC83434; C09281

数据库引用编号

31 个数据库交叉引用编号

ChEBI: CHEBI:69833
KEGG: C09281
PubChem: 5281420
PubChem: 73291588
Metlin: METLIN67572
ChEMBL: CHEMBL1812645
CAS: 148-83-4
MoNA: Bruker_HCD_library000712
MoNA: Bruker_HCD_library001656
MoNA: VF-NPL-QTOF009212
MoNA: VF-NPL-QTOF009211
MoNA: VF-NPL-QTOF009210
MoNA: VF-NPL-QTOF009209
MoNA: VF-NPL-LTQ000738
MoNA: VF-NPL-LTQ000737
MoNA: VF-NPL-LTQ000736
MoNA: VF-NPL-QEHF001200
MoNA: VF-NPL-QEHF001199
MoNA: VF-NPL-QEHF001198
MoNA: VF-NPL-QEHF001197
MoNA: VF-NPL-QEHF001196
MoNA: VF-NPL-QEHF001195
PMhub: MS000092778
PMhub: MS000004756
MetaboLights: MTBLC69833
ChEBI: CHEBI:182829
PubChem: 11472
KNApSAcK: C00002489
3DMET: B02826
NIKKAJI: J10.981I
RefMet: Ostruthin

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

52491 - Angelica decursiva: 10.1016/J.CHROMA.2005.04.041
112819 - Flacourtia jangomas: 10.1016/S0031-9422(00)80439-2
239644 - Halosciastrum melanotilingia: 10.1016/J.CHROMA.2005.04.041
54724 - Hansenia weberbaueriana: 10.1271/BBB.63.1501
159062 - Pamburus missionis:
52477 - Peucedanum ostruthium:
40951 - Seseli: 10.1007/BF00564007
33090 - 蛇床子: -

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

Helge Joa, Sylvia Vogl, Atanas G Atanasov, Martin Zehl, Thomas Nakel, Nanang Fakhrudin, Elke H Heiss, Paolo Picker, Ernst Urban, Christoph Wawrosch, Johannes Saukel, Gottfried Reznicek, Brigitte Kopp, Verena M Dirsch. Identification of ostruthin from Peucedanum ostruthium rhizomes as an inhibitor of vascular smooth muscle cell proliferation. Journal of natural products. 2011 Jun; 74(6):1513-6. doi: 10.1021/np200072a. [PMID: 21627108]
Andreas Schinkovitz, Simon Gibbons, Michael Stavri, Michael J Cocksedge, Franz Bucar. Ostruthin: an antimycobacterial coumarin from the roots of Peucedanum ostruthium. Planta medica. 2003 Apr; 69(4):369-71. doi: 10.1055/s-2003-38876. [PMID: 12709907]