(+)-Royleanone (BioDeep_00000000832)

 

Secondary id: BioDeep_00001867557

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


1,4-Phenanthrenedione, 4b,5,6,7,8,8a,9,10-octahydro-3-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bs-trans)-

化学式: C20H28O3 (316.2038338)
中文名称: 罗列酮
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 93.75%

分子结构信息

SMILES: CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2)(C)C)C)O
InChI: InChI=1S/C20H28O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h11,13,21H,6-10H2,1-5H3/t13-,20-/m0/s1

描述信息

(+)-royleanone is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units (+)-royleanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-royleanone can be found in common sage, which makes (+)-royleanone a potential biomarker for the consumption of this food product.
Royleanone is a diterpenoid.
Royleanone is a natural product found in Salvia virgata, Salvia deserti, and other organisms with data available.

同义名列表

11 个代谢物同义名

1,4-Phenanthrenedione, 4b,5,6,7,8,8a,9,10-octahydro-3-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bs-trans)-; 1,4-Phenanthrenedione, 4b,5,6,7,8,8a,9,10-octahydro-3-hydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-; (4bS,8aS)-3-hydroxy-4b,8,8-trimethyl-2-(propan-2-yl)-1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-1,4-dione; (4bS,8aS)-3-hydroxy-2-isopropyl-4b,8,8-trimethyl- 4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione; Podocarpa-8,12-diene-11,14-dione, 12-hydroxy-13-isopropyl-; 12-Hydroxyabieta-8,12-diene-11,14-dione; 12-hydroxy-8,12-abietadiene-11,14-dione; (+)-Royleanone; NSC-122417; Royleanone; AC1L9C85



数据库引用编号

19 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)

18 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

  • Epole Ntungwe, Eva María Domínguez-Martín, Gabrielle Bangay, Catarina Garcia, Iris Guerreiro, Eleonora Colombo, Lucilia Saraiva, Ana María Díaz-Lanza, Andreia Rosatella, Marta M Alves, Catarina Pinto Reis, Daniele Passarella, Patricia Rijo. Self-Assembly Nanoparticles of Natural Bioactive Abietane Diterpenes. International journal of molecular sciences. 2021 Sep; 22(19):. doi: 10.3390/ijms221910210. [PMID: 34638551]
  • Patrícia Rijo, Aida Duarte, Ana Paula Francisco, Teresa Semedo-Lemsaddek, Maria Fátima Simões. In vitro antimicrobial activity of royleanone derivatives against Gram-positive bacterial pathogens. Phytotherapy research : PTR. 2014 Jan; 28(1):76-81. doi: 10.1002/ptr.4961. [PMID: 23494919]
  • Shiyou Li, Ping Wang, Guangrui Deng, Wei Yuan, Zushang Su. Cytotoxic compounds from invasive giant salvinia (Salvinia molesta) against human tumor cells. Bioorganic & medicinal chemistry letters. 2013 Dec; 23(24):6682-7. doi: 10.1016/j.bmcl.2013.10.040. [PMID: 24210499]
  • Emanuela Giacomelli, Samuel Bertrand, Andreas Nievergelt, Vincent Zwick, Claudia Simoes-Pires, Laurence Marcourt, Elisabeth Rivara-Minten, Muriel Cuendet, Angela Bisio, Jean-Luc Wolfender. Cancer chemopreventive diterpenes from Salvia corrugata. Phytochemistry. 2013 Dec; 96(?):257-64. doi: 10.1016/j.phytochem.2013.09.011. [PMID: 24120298]
  • Marcio Fronza, Evelyn Lamy, Stefan Günther, Berta Heinzmann, Stefan Laufer, Irmgard Merfort. Abietane diterpenes induce cytotoxic effects in human pancreatic cancer cell line MIA PaCa-2 through different modes of action. Phytochemistry. 2012 Jun; 78(?):107-19. doi: 10.1016/j.phytochem.2012.02.015. [PMID: 22436445]
  • Ł Kuźma, W Kisiel, A Królicka, H Wysokińska. Genetic transformation of Salvia austriaca by Agrobacterium rhizogenes and diterpenoid isolation. Die Pharmazie. 2011 Nov; 66(11):904-7. doi: . [PMID: 22204139]
  • M Fronza, R Murillo, S Ślusarczyk, M Adams, M Hamburger, B Heinzmann, S Laufer, I Merfort. In vitro cytotoxic activity of abietane diterpenes from Peltodon longipes as well as Salvia miltiorrhiza and Salvia sahendica. Bioorganic & medicinal chemistry. 2011 Aug; 19(16):4876-81. doi: 10.1016/j.bmc.2011.06.067. [PMID: 21775156]
  • Darina Slamenová, Irena Masterová, Juraj Lábaj, Eva Horváthová, Pavol Kubala, Jana Jakubíková, Ladislava Wsólová. Cytotoxic and DNA-damaging effects of diterpenoid quinones from the roots of Salvia officinalis L. on colonic and hepatic human cells cultured in vitro. Basic & clinical pharmacology & toxicology. 2004 Jun; 94(6):282-90. doi: 10.1111/j.1742-7843.2004.pto940605.x. [PMID: 15228500]
  • Nikolay A Spiridonov, Vladimir V Arkhipov, Alexander G Foigel, Liudmila D Shipulina, Maria G Fomkina. Protonophoric and uncoupling activity of royleanones from Salvia officinalis and euvimals from Eucalyptus viminalis. Phytotherapy research : PTR. 2003 Dec; 17(10):1228-30. doi: 10.1002/ptr.1403. [PMID: 14669263]
  • I Masterová, E Misíková, L Sirotková, S Vaverková, K Ubik. [Royleanones in the roots of Salvia officinalis L. of domestic provenance and their antimicrobial activity]. Ceska a Slovenska farmacie : casopis Ceske farmaceuticke spolecnosti a Slovenske farmaceuticke spolecnosti. 1996 Sep; 45(5):242-5. doi: . [PMID: 9011311]
  • I N Golovistikov. [Ability of antilymphocyte sera to counteract the allogeneic inhibition of hematopoietic stem cells]. Doklady Akademii nauk SSSR. 1975 Aug; 223(5):1245-7. doi: NULL. [PMID: 222]