Byakangelicol (BioDeep_00000000337)

 

Secondary id: BioDeep_00000864321, BioDeep_00001867490

human metabolite PANOMIX_OTCML-2023 natural product


代谢物信息卡片


7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,3-dimethyloxiranyl)methoxy)-4-methoxy-, (R)-

化学式: C17H16O6 (316.0947)
中文名称: 白当归脑
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 48.61%

分子结构信息

SMILES: CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C
InChI: InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1

描述信息

Byakangelicol is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Byakangelicol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Byakangelicol can be found in lemon, which makes byakangelicol a potential biomarker for the consumption of this food product.
Byakangelicol is a member of psoralens.
Byakangelicol is a natural product found in Murraya koenigii, Ostericum grosseserratum, and other organisms with data available.
Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1].
Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1].

同义名列表

11 个代谢物同义名

7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,3-dimethyloxiranyl)methoxy)-4-methoxy-, (R)-; 9-{[(2R)-3,3-dimethyloxiran-2-yl]methoxy}-4-methoxy-7H-furo[3,2-g]chromen-7-one; 9-[(3,3-Dimethyl-2-oxiranyl)methoxy]-4-methoxy-7H-furo[3,2-g]chromen-7-one #; 9-{[(2R)-3,3-dimethyloxiran-2-yl]methoxy}-4-methoxyfuro[3,2-g]chromen-7-one; 9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one; (R)-9-((3,3-Dimethyl-2-oxiranyl)methoxy)-4-methoxyfuro(3,2-g)chromen-7-one; Byakangelicol (Biacangelicol); ORBITTMJKIGFNH-LLVKDONJSA-N; Biacangelicol; Byakangelicol; Byakangelicol



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)

41 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 CYP1A1, CYP3A4, NFKB1, PTGS1, PTGS2, TYR
Peripheral membrane protein 5 ACHE, CYP1A1, GORASP1, PTGS1, PTGS2
Endosome membrane 1 BACE1
Endoplasmic reticulum membrane 5 CYP1A1, CYP1A2, CYP3A4, PTGS1, PTGS2
Nucleus 3 ACHE, NFKB1, PMF1
cytosol 3 MAS1L, NFKB1, PMF1
dendrite 1 BACE1
trans-Golgi network 1 BACE1
nucleoplasm 3 MAS1L, NFKB1, PMF1
Cell membrane 3 ACHE, BACE1, MAS1L
Cytoplasmic side 1 GORASP1
Cell projection, axon 1 BACE1
Multi-pass membrane protein 1 MAS1L
Golgi apparatus membrane 1 GORASP1
Synapse 1 ACHE
cell surface 2 ACHE, BACE1
Golgi apparatus 5 ACHE, BACE1, GORASP1, PMF1, PTGS1
Golgi membrane 1 GORASP1
lysosomal membrane 1 GAA
mitochondrial inner membrane 1 CYP1A1
neuromuscular junction 1 ACHE
neuronal cell body 1 BACE1
synaptic vesicle 1 BACE1
Lysosome 3 BACE1, GAA, TYR
endosome 1 BACE1
plasma membrane 4 ACHE, BACE1, GAA, MAS1L
Membrane 5 ACHE, BACE1, CYP3A4, GAA, MAS1L
axon 1 BACE1
caveola 1 PTGS2
extracellular exosome 2 GAA, PTGS1
Lysosome membrane 1 GAA
endoplasmic reticulum 2 BACE1, PTGS2
extracellular space 2 ACHE, IL4
lysosomal lumen 1 GAA
perinuclear region of cytoplasm 2 ACHE, TYR
mitochondrion 2 CYP1A1, NFKB1
protein-containing complex 1 PTGS2
intracellular membrane-bounded organelle 7 CYP1A1, CYP1A2, CYP3A4, GAA, PMF1, PTGS1, TYR
Microsome membrane 5 CYP1A1, CYP1A2, CYP3A4, PTGS1, PTGS2
Single-pass type I membrane protein 2 BACE1, TYR
Secreted 3 ACHE, GAA, IL4
extracellular region 4 ACHE, GAA, IL4, NFKB1
hippocampal mossy fiber to CA3 synapse 1 BACE1
Extracellular side 1 ACHE
transcription regulator complex 2 NFKB1, PMF1
photoreceptor outer segment 1 PTGS1
multivesicular body 1 BACE1
Melanosome membrane 1 TYR
Early endosome 1 BACE1
Golgi-associated vesicle 1 TYR
recycling endosome 1 BACE1
Mitochondrion inner membrane 1 CYP1A1
Membrane raft 1 BACE1
cis-Golgi network 1 GORASP1
basement membrane 1 ACHE
Nucleus inner membrane 1 PTGS2
Nucleus outer membrane 1 PTGS2
nuclear inner membrane 1 PTGS2
nuclear outer membrane 1 PTGS2
Late endosome 1 BACE1
neuron projection 2 PTGS1, PTGS2
chromatin 1 NFKB1
Golgi apparatus, trans-Golgi network 1 BACE1
spindle pole 1 PMF1
Lipid-anchor, GPI-anchor 1 ACHE
Endomembrane system 2 BACE1, PTGS1
Chromosome, centromere, kinetochore 1 PMF1
Cytoplasmic vesicle membrane 1 BACE1
Cell projection, dendrite 1 BACE1
tertiary granule membrane 1 GAA
Melanosome 1 TYR
side of membrane 1 ACHE
secretory granule lumen 1 NFKB1
endoplasmic reticulum lumen 2 BACE1, PTGS2
specific granule lumen 1 NFKB1
kinetochore 1 PMF1
azurophil granule membrane 1 GAA
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 GORASP1
Golgi apparatus, cis-Golgi network membrane 1 GORASP1
outer kinetochore 1 PMF1
synaptic cleft 1 ACHE
ficolin-1-rich granule membrane 1 GAA
autolysosome lumen 1 GAA
[Nuclear factor NF-kappa-B p105 subunit]: Cytoplasm 1 NFKB1
[Nuclear factor NF-kappa-B p50 subunit]: Nucleus 1 NFKB1
I-kappaB/NF-kappaB complex 1 NFKB1
NF-kappaB p50/p65 complex 1 NFKB1
[Isoform H]: Cell membrane 1 ACHE
Golgi-associated vesicle lumen 1 BACE1
MIS12/MIND type complex 1 PMF1


文献列表

  • Sang Min Lee, Hye-Jin Kim, Young Pyo Jang. Chemometric classification of morphologically similar Umbelliferae medicinal herbs by DART-TOF-MS fingerprint. Phytochemical analysis : PCA. 2012 Sep; 23(5):508-12. doi: 10.1002/pca.2348. [PMID: 22271502]
  • Kazunori Iwanaga, Shinji Yoneda, Yukimi Hamahata, Makoto Miyazaki, Makio Shibano, Masahiko Taniguchi, Kimiye Baba, Masawo Kakemi. Inhibitory effects of furanocoumarin derivatives in Kampo extract medicines on P-glycoprotein at the blood-brain barrier. Biological & pharmaceutical bulletin. 2011; 34(8):1246-51. doi: 10.1248/bpb.34.1246. [PMID: 21804213]
  • Ah Yeon Park, So-Young Park, Jaehyun Lee, Mihye Jung, Jinwoong Kim, Sam Sik Kang, Jeong-Rok Youm, Sang Beom Han. Simultaneous determination of five coumarins in Angelicae dahuricae Radix by HPLC/UV and LC-ESI-MS/MS. Biomedical chromatography : BMC. 2009 Oct; 23(10):1034-43. doi: 10.1002/bmc.1219. [PMID: 19402180]
  • Hyuncheol Oh, Ho-Sub Lee, Taewan Kim, Kyu-Yun Chai, Hun-Taeg Chung, Tae-Oh Kwon, Jung-Yang Jun, Ok-Sam Jeong, Youn-Chul Kim, Young-Gab Yun. Furocoumarins from Angelica dahurica with hepatoprotective activity on tacrine-induced cytotoxicity in Hep G2 cells. Planta medica. 2002 May; 68(5):463-4. doi: 10.1055/s-2002-32075. [PMID: 12058329]