Mestranol (BioDeep_00000399052)

Main id: BioDeep_00000003237

 

natural product


代谢物信息卡片


Mestranol

化学式: C21H26O2 (310.1933)
中文名称: 美雌醇
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C#CC1(O)CCC2C3CCC4=CC(OC)=CC=C4C3CCC21C
InChI: InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1

描述信息

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents

同义名列表

2 个代谢物同义名

Mestranol; Mestranol



数据库引用编号

17 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)

8 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。

亚细胞结构定位 关联基因列表
Cytoplasm 6 ALB, CYP1A1, CYP2C9, CYP2D6, ESR1, PRL
Peripheral membrane protein 2 CYP1A1, ESR1
Endoplasmic reticulum membrane 4 CYP1A1, CYP1A2, CYP2C9, CYP2D6
Nucleus 3 ALB, ESR1, PRL
cytosol 3 ALB, ESR1, GPT
centrosome 1 ALB
nucleoplasm 2 ESR1, PRL
RNA polymerase II transcription regulator complex 1 PRL
Cell membrane 1 ESR1
Cytoplasmic side 1 ESR1
cell surface 1 PLG
glutamatergic synapse 1 PLG
Golgi apparatus 2 ALB, ESR1
Golgi membrane 1 INS
mitochondrial inner membrane 1 CYP1A1
plasma membrane 7 CYP2C9, ESR1, F7, GCG, PLG, REN, SERPINC1
Membrane 3 CYP2D6, ESR1, REN
extracellular exosome 7 AGT, ALB, GPT, PLG, SERPINA6, SERPINC1, SHBG
endoplasmic reticulum 2 ALB, CYP2D6
extracellular space 11 AGT, ALB, F7, GCG, GNRH1, INS, PLG, PRL, REN, SERPINA6, SERPINC1
Schaffer collateral - CA1 synapse 1 PLG
mitochondrion 2 CYP1A1, CYP2D6
protein-containing complex 2 ALB, ESR1
intracellular membrane-bounded organelle 4 CYP1A1, CYP1A2, CYP2C9, CYP2D6
Microsome membrane 4 CYP1A1, CYP1A2, CYP2C9, CYP2D6
Secreted 11 AGT, ALB, CGB5, F7, GCG, INS, PLG, PRL, REN, SHBG, TRH
extracellular region 14 AGT, ALB, CGB5, F7, GCG, GNRH1, INS, PLG, PRL, REN, SERPINA6, SERPINC1, SHBG, TRH
Single-pass membrane protein 1 CYP2D6
anchoring junction 1 ALB
transcription regulator complex 1 ESR1
external side of plasma membrane 1 PLG
apical part of cell 1 REN
vesicle 1 F7
Mitochondrion inner membrane 1 CYP1A1
collagen-containing extracellular matrix 4 AGT, F7, PLG, SERPINC1
secretory granule 1 TRH
ciliary basal body 1 ALB
chromatin 2 ESR1, PRL
centriole 1 ALB
Secreted, extracellular space 1 SERPINC1
spindle pole 1 ALB
blood microparticle 4 AGT, ALB, PLG, SERPINC1
endosome lumen 2 INS, PRL
euchromatin 1 ESR1
secretory granule lumen 2 GCG, INS
Golgi lumen 2 F7, INS
endoplasmic reticulum lumen 5 ALB, F7, GCG, INS, SERPINC1
platelet alpha granule lumen 2 ALB, PLG
transport vesicle 1 INS
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
[Isoform 1]: Nucleus 1 ESR1
[Glucagon-like peptide 1]: Secreted 1 GCG
serine-type peptidase complex 1 F7
ciliary transition fiber 1 ALB


文献列表

  • Zihao Zhou, Hongying Wu, Zhengjun Wu, Lili Mo, Dinghong Li, Wenlong Zeng, Haiyu Luo, Jinlong Huang. Identification of sex pheromone of red swamp crayfish Procambarus clarkii and exploration of the chemosensory mechanism of their antennae. Pesticide biochemistry and physiology. 2023 Sep; 195(?):105580. doi: 10.1016/j.pestbp.2023.105580. [PMID: 37666605]
  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
  • Ankur Kumar Tanwar, Neha Dhiman, Amit Kumar, Vikas Jaitak. Engagement of phytoestrogens in breast cancer suppression: Structural classification and mechanistic approach. European journal of medicinal chemistry. 2021 Mar; 213(?):113037. doi: 10.1016/j.ejmech.2020.113037. [PMID: 33257172]
  • Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
  • Martin Perreault, René Maltais, Jenny Roy, Raphaël Dutour, Donald Poirier. Design of a Mestranol 2-N-Piperazino-Substituted Derivative Showing Potent and Selective in vitro and in vivo Activities in MCF-7 Breast Cancer Models. ChemMedChem. 2017 01; 12(2):177-182. doi: 10.1002/cmdc.201600482. [PMID: 28060448]
  • Ivana Matić Bujagić, Svetlana Grujić, Zorica Jauković, Mila Laušević. Sterol ratios as a tool for sewage pollution assessment of river sediments in Serbia. Environmental pollution (Barking, Essex : 1987). 2016 Jun; 213(?):76-83. doi: 10.1016/j.envpol.2015.12.036. [PMID: 26874877]
  • Huixiao Hong, William S Branham, Hui Wen Ng, Carrie L Moland, Stacey L Dial, Hong Fang, Roger Perkins, Daniel Sheehan, Weida Tong. Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein. Toxicological sciences : an official journal of the Society of Toxicology. 2015 Feb; 143(2):333-48. doi: 10.1093/toxsci/kfu231. [PMID: 25349334]
  • Huixiao Hong, William S Branham, Stacey L Dial, Carrie L Moland, Hong Fang, Jie Shen, Roger Perkins, Daniel Sheehan, Weida Tong. Rat α-Fetoprotein binding affinities of a large set of structurally diverse chemicals elucidated the relationships between structures and binding affinities. Chemical research in toxicology. 2012 Nov; 25(11):2553-66. doi: 10.1021/tx3003406. [PMID: 23013281]
  • Jules Schwartz, Thomas Hunt, William B Smith, Peggy Wong, Patrick Larson, Tami Crumley, Anish Mehta, Keith Gottesdiener, Nancy Agrawal. The effect of etoricoxib on the pharmacokinetics of oral contraceptives in healthy participants. Journal of clinical pharmacology. 2009 Jul; 49(7):807-15. doi: 10.1177/0091270009337131. [PMID: 19443681]
  • Francesca T Aweeka, Susan L Rosenkranz, Yoninah Segal, Robert W Coombs, Arlene Bardeguez, Lourdes Thevanayagam, Patricia Lizak, Judith Aberg, D Heather Watts. The impact of sex and contraceptive therapy on the plasma and intracellular pharmacokinetics of zidovudine. AIDS (London, England). 2006 Sep; 20(14):1833-41. doi: 10.1097/01.aids.0000244202.18629.36. [PMID: 16954724]
  • Stefanie Weber, Prisca Leuschner, Peter Kämpfer, Wolfgang Dott, Juliane Hollender. Degradation of estradiol and ethinyl estradiol by activated sludge and by a defined mixed culture. Applied microbiology and biotechnology. 2005 Apr; 67(1):106-12. doi: 10.1007/s00253-004-1693-4. [PMID: 15290133]
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