hexestrol (BioDeep_00000016480)

   


代谢物信息卡片


4,4-(1,2-Diethylethylene)Diphenol

化学式: C18H22O2 (270.162)
中文名称: 己烷雌酚, 二氢己烯雌酚, 己雌酚
谱图信息: 最多检出来源 Mus musculus(not specific) 1.64%

分子结构信息

SMILES: CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
InChI: InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3

描述信息

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
D000970 - Antineoplastic Agents
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4806; ORIGINAL_PRECURSOR_SCAN_NO 4804
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4799; ORIGINAL_PRECURSOR_SCAN_NO 4795
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8882
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8921
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8953; ORIGINAL_PRECURSOR_SCAN_NO 8951
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8970; ORIGINAL_PRECURSOR_SCAN_NO 8969
CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8944; ORIGINAL_PRECURSOR_SCAN_NO 8942

同义名列表

6 个代谢物同义名

4,4-(1,2-Diethylethylene)Diphenol; hexestrol; meso-Hexestrol; Hexestrol; Dihydrodiethylstilbestrol; Hexestrol



数据库引用编号

26 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)

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。

亚细胞结构定位 关联基因列表
Cytoplasm 11 ALB, AR, CALCA, CBR1, CCDC88A, ESR1, FLCN, MAPK8, PGR, TUBB4B, TYR
Peripheral membrane protein 2 CCDC88A, ESR1
Nucleus 8 ALB, AR, ESR1, ESR2, FLCN, MAPK8, PGR, TUBB4B
cytosol 10 ALB, AR, CBR1, CCDC88A, COMT, ESR1, FLCN, MAPK8, PGR, TUBB4B
dendrite 1 COMT
centrosome 3 ALB, CCDC88A, FLCN
nucleoplasm 7 AR, ATP2B1, CD2, ESR1, ESR2, MAPK8, PGR
Cell membrane 6 ATP2B1, CCDC88A, CD2, COMT, ESR1, ORAI1
Cytoplasmic side 1 ESR1
lamellipodium 1 CCDC88A
Multi-pass membrane protein 2 ATP2B1, ORAI1
Synapse 3 ATP2B1, COMT, MAPK8
cell surface 1 CD2
glutamatergic synapse 1 ATP2B1
Golgi apparatus 4 ALB, CCDC88A, CD2, ESR1
lysosomal membrane 1 FLCN
neuronal cell body 1 CALCA
presynaptic membrane 1 ATP2B1
Cytoplasm, cytosol 2 CCDC88A, FLCN
Lysosome 2 FLCN, TYR
plasma membrane 10 AR, ATP2B1, CCDC88A, CD2, COMT, ESR1, F2, FLCN, ORAI1, PGR
synaptic vesicle membrane 1 ATP2B1
terminal bouton 1 CALCA
Membrane 6 AR, ATP2B1, CCDC88A, COMT, ESR1, ORAI1
axon 2 COMT, MAPK8
basolateral plasma membrane 2 ATP2B1, ORAI1
extracellular exosome 7 AGT, ALB, ATP2B1, CBR1, COMT, F2, TUBB4B
Lysosome membrane 1 FLCN
endoplasmic reticulum 2 ALB, CCDC88A
extracellular space 5 AGT, ALB, CALCA, F2, PNLIP
perinuclear region of cytoplasm 1 TYR
mitochondrion 1 ESR2
protein-containing complex 4 ALB, AR, CD2, ESR1
intracellular membrane-bounded organelle 4 ATP2B1, COMT, ESR2, TYR
Single-pass type I membrane protein 2 CD2, TYR
Secreted 6 AGT, ALB, CALCA, CGB5, F2, PNLIP
extracellular region 8 AGT, ALB, CALCA, CD2, CGB5, F2, PNLIP, TUBB4B
cytoplasmic side of plasma membrane 1 CD2
mitochondrial outer membrane 1 PGR
hippocampal mossy fiber to CA3 synapse 1 CALCA
Extracellular side 1 COMT
anchoring junction 1 ALB
transcription regulator complex 1 ESR1
Cell projection, cilium 1 FLCN
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome 1 FLCN
Cytoplasmic vesicle, secretory vesicle, synaptic vesicle membrane 1 ATP2B1
external side of plasma membrane 1 CD2
Extracellular vesicle 2 CBR1, TUBB4B
cytoplasmic vesicle 1 CCDC88A
microtubule cytoskeleton 1 TUBB4B
Melanosome membrane 1 TYR
cell-cell junction 1 CD2
Golgi-associated vesicle 1 TYR
Single-pass type II membrane protein 1 COMT
Cell projection, lamellipodium 1 CCDC88A
Membrane raft 1 ORAI1
Cytoplasm, cytoskeleton 1 TUBB4B
Cytoplasm, cytoskeleton, spindle 1 FLCN
microtubule 1 TUBB4B
collagen-containing extracellular matrix 2 AGT, F2
lateral plasma membrane 1 ATP2B1
nuclear speck 1 AR
ciliary basal body 2 ALB, CCDC88A
cilium 1 FLCN
chromatin 4 AR, ESR1, ESR2, PGR
cell projection 1 ATP2B1
mitotic spindle 2 FLCN, TUBB4B
cytoskeleton 1 TUBB4B
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome, centriole 1 CCDC88A
Cytoplasm, cytoskeleton, cilium basal body 1 CCDC88A
centriole 2 ALB, CCDC88A
spindle pole 1 ALB
blood microparticle 3 AGT, ALB, F2
Basolateral cell membrane 2 ATP2B1, ORAI1
intercellular bridge 1 TUBB4B
Cytoplasm, cytoskeleton, flagellum axoneme 1 TUBB4B
sperm flagellum 1 TUBB4B
axonemal microtubule 1 TUBB4B
Melanosome 1 TYR
euchromatin 1 ESR1
Presynaptic cell membrane 1 ATP2B1
plasma membrane raft 1 ORAI1
Golgi lumen 1 F2
endoplasmic reticulum lumen 2 ALB, F2
platelet alpha granule lumen 1 ALB
azurophil granule lumen 1 TUBB4B
immunological synapse 1 ATP2B1
neuronal dense core vesicle 1 CALCA
calcium channel complex 1 ORAI1
[Isoform 1]: Nucleus 1 ESR1
basal dendrite 1 MAPK8
FNIP-folliculin RagC/D GAP 1 FLCN
[Isoform 4]: Mitochondrion outer membrane 1 PGR
photoreceptor ribbon synapse 1 ATP2B1
[Isoform Soluble]: Cytoplasm 1 COMT
[Isoform Membrane-bound]: Cell membrane 1 COMT
ciliary transition fiber 1 ALB
[Isoform Alpha]: Cell membrane 1 ORAI1
COPI-coated Golgi to ER transport vesicle 1 CCDC88A
[Isoform beta]: Cell membrane 1 ORAI1


文献列表

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