Artecanin (BioDeep_00000014902)

Secondary id: BioDeep_00000007282, BioDeep_00001869554

human metabolite PANOMIX_OTCML-2023

代谢物信息卡片

(1R,2R,5S,9S,10S,11S,13R,14S)-2-hydroxy-2,11-dimethyl-6-methylidene-8,12,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0⁵,⁹.0¹¹,¹³]pentadecan-7-one

化学式: C15H18O5 (278.1154178)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 39.47%

分子结构信息

SMILES: CC1(CCC2C(C3C14C(O4)C5C3(O5)C)OC(=O)C2=C)O
InChI: InChI=1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10+,11-,13+,14-,15+/m0/s1

描述信息

Artecanin belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Artecanin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Artecanin can be found in sweet bay, which makes artecanin a potential biomarker for the consumption of this food product.

同义名列表

3 个代谢物同义名

(1R,2R,5S,9S,10S,11S,13R,14S)-2-hydroxy-2,11-dimethyl-6-methylidene-8,12,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0⁵,⁹.0¹¹,¹³]pentadecan-7-one; Artecanin; Canin

数据库引用编号

13 个数据库交叉引用编号

ChEBI: CHEBI:3356
KEGG: C09354
PubChem: 442175
HMDB: HMDB0302700
Metlin: METLIN67626
ChEMBL: CHEMBL271164
KNApSAcK: C00000238
foodb: FDB005870
chemspider: 390688
CAS: 24959-84-0
PubChem: 11545
3DMET: B02891
NIKKAJI: J18.696A

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)

14 个相关的物种来源信息

282727 - Achillea clusiana: 10.1515/ZNC-1999-1203
282745 - Achillea ligustica: 10.1016/0031-9422(88)80466-7
282753 - Achillea nobilis: 10.1007/BF02238225
259893 - Artemisia argyi: 10.1007/BF00630092
205361 - Artemisia aschurbajewii: 10.1007/BF00579169
72338 - Artemisia cana: 10.1021/JO00149A026
395280 - Artemisia frigida: 10.1021/NP50018A020
1227627 - Artemisia klotzchiana: 10.1016/S0031-9422(00)81057-2
205374 - Artemisia rutifolia: 10.1016/0031-9422(86)80021-8
401941 - Artemisia xanthochroa: 10.1016/0031-9422(86)80021-8
9606 - Homo sapiens: -
1721069 - Pentzia calva: 10.1016/0031-9422(90)89035-8
99106 - Tanacetum macrophyllum:
127999 - Tanacetum parthenium:

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

Lara Dürr, Jakob K Reinhardt, Maciej Dobrzyński, Tanja Hell, Martin Smieško, Olivier Pertz, Matthias Hamburger, Eliane Garo. A Dimerosesquiterpene and Sesquiterpene Lactones from Artemisia argyi Inhibiting Oncogenic PI3K/AKT Signaling in Melanoma Cells. Journal of natural products. 2022 11; 85(11):2557-2569. doi: 10.1021/acs.jnatprod.2c00471. [PMID: 36351173]
Jakob K Reinhardt, Amy M Klemd, Ombeline Danton, Maria De Mieri, Martin Smieško, Roman Huber, Thomas Bürgi, Carsten Gründemann, Matthias Hamburger. Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant Activity. Journal of natural products. 2019 06; 82(6):1424-1433. doi: 10.1021/acs.jnatprod.8b00791. [PMID: 31181920]
Kazuyoshi Kawazoe, Yoshiko Tsubouchi, Norasyikin Abdullah, Yoshihisa Takaishi, Hirohumi Shibata, Tomihiko Higuti, Hitoshi Hori, Makoto Ogawa. Sesquiterpenoids from Artemisia gilvescens and an anti-MRSA compound. Journal of natural products. 2003 Apr; 66(4):538-9. doi: 10.1021/np020593m. [PMID: 12713410]
R J Marles, J Kaminski, J T Arnason, L Pazos-Sanou, S Heptinstall, N H Fischer, C W Crompton, D G Kindack, D V Awang. A bioassay for inhibition of serotonin release from bovine platelets. Journal of natural products. 1992 Aug; 55(8):1044-56. doi: 10.1021/np50086a003. [PMID: 1431933]