(+)-Hardwickiic acid (BioDeep_00000227747)

 

Secondary id: BioDeep_00000265029, BioDeep_00000396644

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


(4aS,5R,6S,8aS)-5-(2-(Furan-3-yl)ethyl)-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid

化学式: C20H28O3 (316.2038338)
中文名称: 左旋哈氏豆属酸, HARDWICKIIC ACID
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1CCC2(C(C1(C)CCC3=COC=C3)CCC=C2C(=O)O)C
InChI: InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)

描述信息

(+)-hardwickiic acid is a member of the class of compounds known as colensane and clerodane diterpenoids. Colensane and clerodane diterpenoids are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations (+)-hardwickiic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (+)-hardwickiic acid can be found in blackcurrant, which makes (+)-hardwickiic acid a potential biomarker for the consumption of this food product.

同义名列表

9 个代谢物同义名

(4aS,5R,6S,8aS)-5-(2-(Furan-3-yl)ethyl)-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid; 5-[2-(Furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid; 5-[2-(Furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate; 5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid; hardwickic acid, (-)-isomer; (+)-Hardwickiic acid; (-)-Hardwickic acid; (+)-Hardwickiate; hardwickic acid



数据库引用编号

5 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

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)

1 个相关的物种来源信息

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

  • Guilherme Venâncio Símaro, Marivane Lemos, Jonas Joaquim Mangabeira da Silva, Victor Pena Ribeiro, Caroline Arruda, Ayda Henriques Schneider, Carlos Wagner de Souza Wanderley, Luiza Junqueira Carneiro, Roberta Lopes Mariano, Sérgio Ricardo Ambrósio, Sérgio Faloni de Andrade, Vilmar C Banderó-Filho, Astrid Sasse, Helen Sheridan, Márcio Luis Andrade E Silva, Jairo Kenupp Bastos. Antinociceptive and anti-inflammatory activities of Copaifera pubiflora Benth oleoresin and its major metabolite ent-hardwickiic acid. Journal of ethnopharmacology. 2021 May; 271(?):113883. doi: 10.1016/j.jep.2021.113883. [PMID: 33508366]
  • Thaís da Silva Moraes, Luis Fernando Leandro, Mariana Brentini Santiago, Larissa de Oliveira Silva, Thamires Chiquini Bianchi, Rodrigo Cássio Sola Veneziani, Sérgio Ricardo Ambrósio, Salvador Boccaletti Ramos, Jairo Kenupp Bastos, Carlos Henrique Gomes Martins. Assessment of the antibacterial, antivirulence, and action mechanism of Copaifera pubiflora oleoresin and isolated compounds against oral bacteria. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie. 2020 Sep; 129(?):110467. doi: 10.1016/j.biopha.2020.110467. [PMID: 32603890]
  • Kátia Wolff Cordeiro, Josyelen Lousada Felipe, Kauê Franco Malange, Pâmela Rafaela do Prado, Patrícia de Oliveira Figueiredo, Fernanda Rodrigues Garcez, Karine de Cássia Freitas, Walmir Silva Garcez, Mônica Cristina Toffoli-Kadri. Anti-inflammatory and antinociceptive activities of Croton urucurana Baillon bark. Journal of ethnopharmacology. 2016 May; 183(?):128-135. doi: 10.1016/j.jep.2016.02.051. [PMID: 26944237]
  • Laura Faiella, Fabrizio Dal Piaz, Angela Bisio, Alessandra Tosco, Nunziatina De Tommasi. A chemical proteomics approach reveals Hsp27 as a target for proapoptotic clerodane diterpenes. Molecular bioSystems. 2012 Oct; 8(10):2637-44. doi: 10.1039/c2mb25171j. [PMID: 22802135]
  • Victor Kuete, Ghislain Fotso Wabo, Bathélémy Ngameni, Armelle Tsafack Mbaveng, Robert Metuno, François-Xavier Etoa, Bonaventure Tchaleu Ngadjui, Véronique Penlap Beng, J J Marion Meyer, Namrita Lall. Antimicrobial activity of the methanolic extract, fractions and compounds from the stem bark of Irvingia gabonensis (Ixonanthaceae). Journal of ethnopharmacology. 2007 Oct; 114(1):54-60. doi: 10.1016/j.jep.2007.07.025. [PMID: 17766070]
  • Andrea K Bigham, Thomas A Munro, Mark A Rizzacasa, Roy M Robins-Browne. Divinatorins A-C, new neoclerodane diterpenoids from the controlled sage Salvia divinorum. Journal of natural products. 2003 Sep; 66(9):1242-4. doi: 10.1021/np030313i. [PMID: 14510607]