alpha-Terpineol acetate (BioDeep_00000396909)

 

Secondary id: BioDeep_00000009232

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


(+/-)-alpha-Terpinyl acetate, predominantly alpha-isomer, technical, >=90\\% (GC)

化学式: C12H20O2 (196.1463)
中文名称: 乙酸松油酯, 醋酸α-萜品酯, 萜品醇乙酸酯
谱图信息: 最多检出来源 Homo sapiens(lipidomics) 19.39%

分子结构信息

SMILES: C1C(=CCC(C1)C(OC(C)=O)(C)C)C
InChI: InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3

描述信息

alpha-Terpineol acetate, also known as a-terpineol acetic acid or p-menth-1-en-8-yl acetate, belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. alpha-Terpineol acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Alpha-Terpinyl acetate is a p-menthane monoterpenoid.
alpha-Terpinyl acetate is a natural product found in Xylopia sericea, Elettaria cardamomum, and other organisms with data available.
Terpinyl acetate is a metabolite found in or produced by Saccharomyces cerevisiae.
α-Terpinyl acetate is a monoterpene ester isolated from Laurus nobilis L. essential oil. α-Terpinyl acetate is a competitive P450 2B6 substrate which binding to the active site of P450 2B6 with a Kd value of 5.4?μM[1][2].
α-Terpinyl acetate is a monoterpene ester isolated from Laurus nobilis L. essential oil. α-Terpinyl acetate is a competitive P450 2B6 substrate which binding to the active site of P450 2B6 with a Kd value of 5.4?μM[1][2].

同义名列表

66 个代谢物同义名

(+/-)-alpha-Terpinyl acetate, predominantly alpha-isomer, technical, >=90\\% (GC); (+/-)-alpha-Terpinyl acetate, predominantly alpha-isomer, analytical standard; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate, (1S)-; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate, (1R)-; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate; (1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; .ALPHA.,.ALPHA.,4-TRIMETHYL-3-CYCLOHEXENE-1-METHYL ACETATE; alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate; 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl acetate #; [1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl] acetate; 1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate; (+/-)-2-(4-Methyl-3-cyclohexenyl)isopropyl acetate; 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate; 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate; 2-(4-METHYL-3-CYCLOHEXEN-1-YL)-2-PROPYL ACETATE; 2-(4-methylcyclohex-3-enyl)propan-2-yl acetate; 4-06-00-00253 (Beilstein Handbook Reference); alpha-Terpinyl acetate, >=95\\%, FG; .ALPHA.-TERPINYL ACETATE. (+/-)-; .ALPHA.-TERPINYL ACETATE, (+/-)-; alpha-Terpinyl acetate, (+/-)-; p-Menth-1-en-8-yl acetic acid; (+/-)-alpha-Terpinyl acetate; IGODOXYLBBXFDW-UHFFFAOYSA-N; alpha-Terpineol acetic acid; .ALPHA.-TERPINEOL, ACETATE; p-Menth-1-en-8-ol, acetate; alpha-Terpinyl acetic acid; Terpinyl acetate (natural); .alpha.-Terpineol acetate; p-Menth-1-en-8-yl acetate; alpha-Terpineol, acetate; .alpha.-Terpinyl acetate; Α-terpineol acetic acid; alpha-Terpineol acetate; a-Terpineol acetic acid; Terpinyl acetate; >85\\%; a-Terpinyl acetic acid; Α-terpinyl acetic acid; alpha-Terpinyl acetate; α-​Terpinyl acetate; a-Terpineol acetate; Α-terpineol acetate; a-?Terpinyl acetate; a-Terpinyl acetate; α-Terpinyl acetate; terpinenyl acetate; Terpineol, acetate; Terpineol acetate; terpinyl acetate; -erpinyl acetate; UNII-NIT9SZT3D7; UNII-9RXE0I9F2J; Tox21_303242; Tox21_202188; CAS-80-26-2; 9RXE0I9F2J; NIT9SZT3D7; AI3-00522; FEMA 3047; α-?Terpinyl acetate; alpha-Terpinyl acetate; alpha-Terpinyl acetate



数据库引用编号

20 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)

42 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 ALOX5, CASP1, FPR1, FPR2, IL18, NLRP3
Peripheral membrane protein 2 ALOX5, CTSB
Endosome membrane 2 BACE1, INSR
Nucleus 1 NLRP3
cytosol 6 ALOX5, CASP1, IL18, LIPE, NLRP3, SLC2A4
dendrite 2 BACE1, MAOB
trans-Golgi network 2 BACE1, SLC2A4
nucleoplasm 1 ALOX5
Cell membrane 9 BACE1, CASP1, FPR1, FPR2, INSR, LIPE, LYVE1, SLC2A4, TNF
Cytoplasmic side 1 MAOB
Cell projection, axon 1 BACE1
Multi-pass membrane protein 3 FPR1, FPR2, SLC2A4
Golgi apparatus membrane 1 NLRP3
cell surface 3 BACE1, PLG, TNF
glutamatergic synapse 1 PLG
Golgi apparatus 2 ATRN, BACE1
Golgi membrane 2 INS, NLRP3
lysosomal membrane 1 GAA
neuronal cell body 3 BACE1, MAOB, TNF
sarcolemma 1 SLC2A4
synaptic vesicle 1 BACE1
Cytoplasm, cytosol 4 ALOX5, IL18, LIPE, NLRP3
Lysosome 4 BACE1, CTSB, GAA, INSR
Presynapse 1 SLC2A4
endosome 1 BACE1
plasma membrane 13 ATRN, BACE1, BCHE, CASP1, FPR1, FPR2, GAA, INSR, LYVE1, PLG, SERPINE1, SLC2A4, TNF
Membrane 9 BACE1, FPR1, FPR2, GAA, INSR, LIPE, LYVE1, NLRP3, SLC2A4
apical plasma membrane 1 CTSB
axon 2 BACE1, INSR
caveola 2 INSR, LIPE
extracellular exosome 8 ATRN, CTSB, GAA, INSR, LYVE1, PLG, SERPINE1, SLC2A4
Lysosome membrane 1 GAA
endoplasmic reticulum 2 BACE1, NLRP3
extracellular space 9 ALOX5, ATRN, BCHE, CTSB, IL18, INS, PLG, SERPINE1, TNF
lysosomal lumen 1 GAA
perinuclear region of cytoplasm 3 ALOX5, CTSB, SLC2A4
Schaffer collateral - CA1 synapse 1 PLG
mitochondrion 2 MAOB, NLRP3
protein-containing complex 1 CASP1
intracellular membrane-bounded organelle 1 GAA
Single-pass type I membrane protein 4 ATRN, BACE1, INSR, LYVE1
Secreted 7 BCHE, GAA, IL18, INS, NLRP3, PLG, SERPINE1
extracellular region 10 ALOX5, BCHE, CTSB, GAA, IL18, INS, NLRP3, PLG, SERPINE1, TNF
Mitochondrion outer membrane 1 MAOB
mitochondrial outer membrane 1 MAOB
hippocampal mossy fiber to CA3 synapse 1 BACE1
neuronal cell body membrane 1 INSR
[Isoform 2]: Secreted 1 ATRN
Extracellular side 1 CTSB
Nucleus membrane 1 ALOX5
nuclear membrane 1 ALOX5
external side of plasma membrane 5 CTSB, INSR, PLG, SLC2A4, TNF
multivesicular body 2 BACE1, SLC2A4
T-tubule 1 SLC2A4
nucleolus 1 CASP1
Early endosome 1 BACE1
clathrin-coated pit 1 SLC2A4
recycling endosome 2 BACE1, TNF
Single-pass type II membrane protein 1 TNF
Apical cell membrane 1 CTSB
Cytoplasm, perinuclear region 2 ALOX5, SLC2A4
Membrane raft 3 BACE1, SLC2A4, TNF
microtubule 1 CASP1
sarcoplasmic reticulum 1 SLC2A4
collagen-containing extracellular matrix 3 CTSB, PLG, SERPINE1
Cytoplasm, cytoskeleton, microtubule organizing center 1 NLRP3
Inflammasome 1 NLRP3
interphase microtubule organizing center 1 NLRP3
NLRP3 inflammasome complex 2 CASP1, NLRP3
Late endosome 2 BACE1, INSR
receptor complex 1 INSR
phagocytic cup 1 TNF
Secreted, extracellular space 1 CTSB
Golgi apparatus, trans-Golgi network 1 BACE1
blood microparticle 2 BCHE, PLG
[Isoform 3]: Secreted 1 ATRN
nuclear envelope 1 ALOX5
Nucleus envelope 1 ALOX5
Endomembrane system 3 BACE1, NLRP3, SLC2A4
endosome lumen 1 INS
Lipid droplet 1 LIPE
Membrane, caveola 1 LIPE
microtubule organizing center 1 NLRP3
Cytoplasmic vesicle membrane 2 BACE1, SLC2A4
Cell projection, dendrite 1 BACE1
specific granule membrane 1 FPR2
tertiary granule membrane 2 FPR2, GAA
Melanosome 1 CTSB
clathrin-coated vesicle 1 SLC2A4
trans-Golgi network transport vesicle 1 SLC2A4
ficolin-1-rich granule lumen 2 ALOX5, CTSB
secretory granule lumen 2 ALOX5, INS
secretory granule membrane 1 FPR1
Golgi lumen 1 INS
endoplasmic reticulum lumen 3 BACE1, BCHE, INS
nuclear matrix 1 ALOX5
platelet alpha granule lumen 2 PLG, SERPINE1
transport vesicle 1 INS
azurophil granule membrane 2 FPR1, GAA
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
mitochondrial envelope 1 MAOB
Single-pass type IV membrane protein 1 MAOB
Nucleus matrix 1 ALOX5
nuclear envelope lumen 2 ALOX5, BCHE
AIM2 inflammasome complex 1 CASP1
vesicle membrane 1 SLC2A4
ficolin-1-rich granule membrane 3 FPR1, FPR2, GAA
canonical inflammasome complex 1 CASP1
[Isoform 1]: Cell membrane 1 ATRN
dendrite membrane 1 INSR
serine protease inhibitor complex 1 SERPINE1
peptidase inhibitor complex 2 CTSB, SERPINE1
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
insulin receptor complex 1 INSR
endolysosome lumen 1 CTSB
Nucleus intermembrane space 1 ALOX5
autolysosome lumen 1 GAA
insulin-responsive compartment 1 SLC2A4
IPAF inflammasome complex 1 CASP1
NLRP1 inflammasome complex 1 CASP1
protease inhibitor complex 1 CASP1
Golgi-associated vesicle lumen 1 BACE1
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

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  • Vaida Vaičiulytė, Kristina Ložienė, Jurgita Švedienė, Vita Raudonienė, Algimantas Paškevičius. α-Terpinyl Acetate: Occurrence in Essential Oils Bearing Thymus pulegioides, Phytotoxicity, and Antimicrobial Effects. Molecules (Basel, Switzerland). 2021 Feb; 26(4):. doi: 10.3390/molecules26041065. [PMID: 33670506]
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