THDOC (BioDeep_00000598641)
Main id: BioDeep_00000009526
代谢物信息卡片
3alpha,21-dihydroxy-5alpha-pregnane-20-one
化学式: C21H34O3 (334.25078140000005)
中文名称: 3alpha,21-二羟基-5alpha-孕甾-20-酮
谱图信息:
最多检出来源 Homo sapiens(feces) 0.32%
分子结构信息
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O
InChI: InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
描述信息
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
D018377 - Neurotransmitter Agents > D000081227 - Neurosteroids
3α,21-Dihydroxy-5α-pregnan-20-one (THDOC), an endogenous neurosteroid, is a positive modulator of GABAA receptors. 3α,21-Dihydroxy-5α-pregnan-20-one potentiates neuronal response to low concentrations of GABA at α4β1δ GABAA receptors in vitro.
同义名列表
12 个代谢物同义名
3alpha,21-dihydroxy-5alpha-pregnane-20-one; 3alpha,21-Dihydroxy-5alpha-pregnan-20-one; Allotetrahydrodeoxycorticosterone; Tetrahydrodeoxycorticosterone; 21-hydroxyallopregnanolone; 5alpha-THDOC; ST 21:1;O3; THDOC; 5α-Pregnane-3α;21-diol-20-one; Allopregnane-3α; 5α-THDOC; 3α,21-Dihydroxy-5α-pregnan-20-one
数据库引用编号
12 个数据库交叉引用编号
- ChEBI: CHEBI:34461
- KEGG: C13713
- PubChem: 101771
- Metlin: METLIN41885
- ChEMBL: CHEMBL1256760
- LipidMAPS: LMST02030132
- LipidMAPS: LMST05030013
- CAS: 567-02-2
- PubChem: 586302
- PDB-CCD: A8Z
- NIKKAJI: J188.433F
- medchemexpress: HY-123489
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)
0 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
- Kristina M Deligiannidis, Aimee R Kroll-Desrosiers, Yanglan Tan, Michelle L Dubuke, Scott A Shaffer. Longitudinal proneuroactive and neuroactive steroid profiles in medication-free women with, without and at-risk for perinatal depression: A liquid chromatography-tandem mass spectrometry analysis.
Psychoneuroendocrinology.
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10.1016/j.psyneuen.2020.104827. [PMID: 32828068] - Christopher D Schmoutz, Glenn F Guerin, Scott P Runyon, Suraj Dhungana, Nicholas E Goeders. A therapeutic combination of metyrapone and oxazepam increases brain levels of GABA-active neurosteroids and decreases cocaine self-administration in male rats.
Behavioural brain research.
2015 Sep; 291(?):108-111. doi:
10.1016/j.bbr.2015.05.019. [PMID: 26003946] - Vivien Zell, Pierre-Éric Juif, Ulrike Hanesch, Pierrick Poisbeau, Fernand Anton, Pascal Darbon. Corticosterone analgesia is mediated by the spinal production of neuroactive metabolites that enhance GABAergic inhibitory transmission on dorsal horn rat neurons.
The European journal of neuroscience.
2015 Feb; 41(3):390-7. doi:
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2006 Aug; 26(4):379-84. doi:
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2005 Jul; 1049(1):104-11. doi:
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Psychiatry research.
2005 Jun; 135(3):185-90. doi:
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Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology.
2005 Jan; 30(1):192-5. doi:
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Journal of psychiatry & neuroscience : JPN.
2005 Jan; 30(1):49-52. doi:
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Journal of clinical psychopharmacology.
2004 Aug; 24(4):437-40. doi:
10.1097/01.jcp.0000130552.78501.1a. [PMID: 15232336] - Laura E O'Dell, Ahmed A Alomary, Monique Vallée, George F Koob, Robert L Fitzgerald, Robert H Purdy. Ethanol-induced increases in neuroactive steroids in the rat brain and plasma are absent in adrenalectomized and gonadectomized rats.
European journal of pharmacology.
2004 Jan; 484(2-3):241-7. doi:
10.1016/j.ejphar.2003.11.031. [PMID: 14744609] - Francesca Brambilla, Giovanni Biggio, Maria Giuseppina Pisu, Robert H Purdy, Gilberto Gerra, Amir Zaimovich, Mariangela Serra. Plasma concentrations of anxiolytic neurosteroids in men with normal anxiety scores: a correlation analysis.
Neuropsychobiology.
2004; 50(1):6-9. doi:
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2003 Nov; 23(34):10934-43. doi:
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Psychopharmacology.
2003 Nov; 170(2):132-9. doi:
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Psychiatry research.
2003 May; 118(2):107-16. doi:
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2002 Jun; 16(2):133-8. doi:
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