isosafrole (BioDeep_00000398722)

Main id: BioDeep_00000003864

 

natural product


代谢物信息卡片


InChI=1\C10H10O2\c1-2-3-8-4-5-9-10(6-8)12-7-11-9\h2-6H,7H2,1H3\b3-2

化学式: C10H10O2 (162.0681)
中文名称: 异黄樟素
谱图信息: 最多检出来源 Homo sapiens(natural_products) 22.36%

分子结构信息

SMILES: C/C=C/c1ccc2c(c1)OCO2
InChI: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3

描述信息

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.089

同义名列表

58 个代谢物同义名

isosafrole; InChI=1\C10H10O2\c1-2-3-8-4-5-9-10(6-8)12-7-11-9\h2-6H,7H2,1H3\b3-2; InChI=1\C10H10O2\c1-2-3-8-4-5-9-10(6-8)12-7-11-9\h2-6H,7H2,1H; Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-; trans-1,2-(Methylenedioxy)-4-propenylbenzene; 5-19-01-00552 (Beilstein Handbook Reference); 5-[(1E)-prop-1-en-1-yl]-1,3-benzodioxole; 1,3-Benzodioxole, 5-(1-propenyl)-, (E)-; 3,4-Methylenedioxy-1-propenyl benzene; 5-[(E)-prop-1-enyl]-1,3-benzodioxole; 1,2-Methylenedioxy-4-propenylbenzene; 5-prop-1-en-1-yl-1,3-benzodioxole; 5-Prop-1-enyl-1,3-benzodioxole; RCRA waste number U141; SDCCGMLS-0066561.P001; RCRA waste no. U141; Isosafrole (TGMX); Spectrum2_000672; Isosafrol (cis?); Spectrum4_001158; Spectrum5_000388; EINECS 204-410-2; Spectrum3_001027; beta-Isosafrole; Spectrum_001287; NCIOpen2_001345; ChemDiv2_001446; NCGC00090700-01; NCGC00090700-02; SpecPlus_000306; (E)-isosafrole; 329606_ALDRICH; SPECTRUM300533; BSPBio_002813; KBioSS_001767; KBioGR_001735; DivK1c_006402; KBio1_001346; KBio2_001767; KBio2_004335; KBio2_006903; ZINC00389532; SPBio_000763; KBio3_002033; 191281-03-5; BRN 0082640; EU-0050464; SBB012358; 4043-71-4; AI3-02068; HSDB 2862; CCRIS 353; 120-58-1; NSC 4884; C10472; Isosafrole; Isosafrole; DSSTox_CID_767



数据库引用编号

31 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)

30 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, CAT, CYP2A6, CYP2B6, CYP2E1, CYP3A4, HPGDS, MVD, NQO1, XDH, YBX1
Peripheral membrane protein 3 ACHE, CYP2B6, CYP2E1
Endoplasmic reticulum membrane 5 CYP1A2, CYP2A6, CYP2B6, CYP2E1, CYP3A4
Nucleus 5 ACHE, ALB, FOS, NQO1, YBX1
cytosol 10 ALB, CAT, FOS, GPT, HPGDS, MVD, NQO1, PFKFB3, XDH, YBX1
dendrite 1 NQO1
centrosome 1 ALB
nucleoplasm 4 FOS, HPGDS, PFKFB3, YBX1
RNA polymerase II transcription regulator complex 1 FOS
Cell membrane 2 ACHE, CD244
Cytoplasmic granule 1 YBX1
Multi-pass membrane protein 1 SLC45A2
Synapse 3 ACHE, NQO1, YBX1
cell surface 1 ACHE
Golgi apparatus 2 ACHE, ALB
mitochondrial inner membrane 1 CYP2E1
neuromuscular junction 1 ACHE
neuronal cell body 1 NQO1
Cytoplasm, cytosol 1 NQO1
plasma membrane 4 ACHE, BCHE, CD244, YBX1
Membrane 7 ACHE, CAT, CD244, CYP2A6, CYP3A4, NQO1, SLC45A2
extracellular exosome 5 ALB, CAT, DEFA3, GPT, YBX1
endoplasmic reticulum 3 ALB, FOS, YBX1
extracellular space 5 ACHE, ALB, BCHE, DEFA3, XDH
perinuclear region of cytoplasm 1 ACHE
mitochondrion 1 CAT
protein-containing complex 2 ALB, CAT
intracellular membrane-bounded organelle 8 CAT, CYP1A2, CYP2A6, CYP2B6, CYP2E1, CYP3A4, HPGDS, YBX1
Microsome membrane 4 CYP1A2, CYP2B6, CYP2E1, CYP3A4
Single-pass type I membrane protein 1 CD244
Secreted 5 ACHE, ALB, BCHE, DEFA3, YBX1
extracellular region 6 ACHE, ALB, BCHE, CAT, DEFA3, YBX1
mitochondrial matrix 1 CAT
Extracellular side 1 ACHE
anchoring junction 1 ALB
external side of plasma membrane 1 CD244
Melanosome membrane 1 SLC45A2
Cytoplasm, P-body 1 YBX1
P-body 1 YBX1
Mitochondrion inner membrane 1 CYP2E1
Membrane raft 1 CD244
focal adhesion 1 CAT
Peroxisome 2 CAT, XDH
basement membrane 1 ACHE
sarcoplasmic reticulum 1 XDH
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
ciliary basal body 1 ALB
chromatin 1 FOS
centriole 1 ALB
spindle pole 1 ALB
blood microparticle 2 ALB, BCHE
Lipid-anchor, GPI-anchor 1 ACHE
cytoplasmic stress granule 1 YBX1
side of membrane 1 ACHE
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 1 CAT
Golgi lumen 1 DEFA3
endoplasmic reticulum lumen 2 ALB, BCHE
nuclear matrix 1 FOS
platelet alpha granule lumen 1 ALB
Secreted, extracellular exosome 1 YBX1
azurophil granule lumen 1 DEFA3
nuclear envelope lumen 1 BCHE
ribonucleoprotein complex 1 YBX1
cytoplasmic microtubule 1 CYP2A6
synaptic cleft 1 ACHE
protein-DNA complex 1 FOS
U12-type spliceosomal complex 1 YBX1
CRD-mediated mRNA stability complex 1 YBX1
histone pre-mRNA 3'end processing complex 1 YBX1
transcription factor AP-1 complex 1 FOS
catalase complex 1 CAT
[Isoform H]: Cell membrane 1 ACHE
ciliary transition fiber 1 ALB


文献列表

  • Dawid Hernik, Ewa Szczepańska, Elisabetta Brenna, Katarzyna Patejuk, Teresa Olejniczak, Tomasz Strzała, Filip Boratyński. Trametes hirsuta as an Attractive Biocatalyst for the Preparative Scale Biotransformation of Isosafrole into Piperonal. Molecules (Basel, Switzerland). 2023 Apr; 28(8):. doi: 10.3390/molecules28083643. [PMID: 37110877]
  • M Schäffer, T Gröger, M Pütz, R Zimmermann. Forensic profiling of sassafras oils based on comprehensive two-dimensional gas chromatography. Forensic science international. 2013 Jun; 229(1-3):108-15. doi: 10.1016/j.forsciint.2013.03.046. [PMID: 23683915]
  • Stephan G Walch, Thomas Kuballa, Wolf Stühlinger, Dirk W Lachenmeier. Determination of the biologically active flavour substances thujone and camphor in foods and medicines containing sage (Salvia officinalis L.). Chemistry Central journal. 2011 Jul; 5(?):44. doi: 10.1186/1752-153x-5-44. [PMID: 21777420]
  • . Toxicology and carcinogenesis studies of isoeugenol (CAS No. 97-54-1) in F344/N rats and B6C3F1 mice (gavage studies). National Toxicology Program technical report series. 2010 Sep; ?(551):1-178. doi: . [PMID: 21372857]
  • József Vuts, Zoltán Imrei, Miklós Töth. Development of an attractant-baited trap for Oxythyrea funesta Poda (Coleoptera: Scarabaeidae, Cetoniinae). Zeitschrift fur Naturforschung. C, Journal of biosciences. 2008 Sep; 63(9-10):761-8. doi: 10.1515/znc-2008-9-1023. [PMID: 19040118]
  • John W Allis, Brian P Anderson, Guangyu Zhao, Tracey M Ross, Rex A Pegram. Evidence for the involvement of CYP1A2 in the metabolism of bromodichloromethane in rat liver. Toxicology. 2002 Jul; 176(1-2):25-37. doi: 10.1016/s0300-483x(02)00088-4. [PMID: 12062927]
  • M Yilmazer, J F Stevens, M L Deinzer, D R Buhler. In vitro biotransformation of xanthohumol, a flavonoid from hops (Humulus lupulus), by rat liver microsomes. Drug metabolism and disposition: the biological fate of chemicals. 2001 Mar; 29(3):223-31. doi: . [PMID: 11181488]
  • K Noguchi, A Mera, T Watanabe, S Higuchi, K Chiba. Identification of cytochrome P450 isoform involved in the metabolism of YM992, a novel selective serotonin re-uptake inhibitor, in human liver microsomes. Xenobiotica; the fate of foreign compounds in biological systems. 2000 May; 30(5):503-13. doi: 10.1080/004982500237505. [PMID: 10875683]
  • M Y Law, M H Slawson, D E Moody. Selective involvement of cytochrome P450 2D subfamily in in vivo 4-hydroxylation of amphetamine in rat. Drug metabolism and disposition: the biological fate of chemicals. 2000 Mar; 28(3):348-53. doi: NULL. [PMID: 10681381]
  • Z S Zhao, S Khan, P J O'Brien. The prevention of ferric nitrilotriacetate-induced nephro- and hepatotoxicity by methylenedioxybenzene antioxidants. Chemico-biological interactions. 1997 Dec; 108(1-2):107-18. doi: 10.1016/s0009-2797(97)00103-8. [PMID: 9463524]
  • Z S Zhao, P J O'Brien. The prevention of CCl4-induced liver necrosis in mice by naturally occurring methylenedioxybenzenes. Toxicology and applied pharmacology. 1996 Oct; 140(2):411-21. doi: 10.1006/taap.1996.0238. [PMID: 8887459]
  • R Vikse, K Ingebrigtsen, L Klungsøyr, J Alexander. Effects of enzyme induction on the distribution of the food carcinogen 2-amino-3,8-dimethyl-imidazo[4,5-ss]-quinoxaline (MeIQx) in Ah-receptor- responsive- and Ah-receptor-non-responsive mice. Pharmacology & toxicology. 1995 Jul; 77(1):57-64. doi: 10.1111/j.1600-0773.1995.tb01914.x. [PMID: 8532613]
  • M J Leaver, L Pirrit, S G George. Cytochrome P450 1A1 cDNA from plaice (Pleuronectes platessa) and induction of P450 1A1 mRNA in various tissues by 3-methylcholanthrene and isosafrole. Molecular marine biology and biotechnology. 1993 Dec; 2(6):338-45. doi: . [PMID: 8193668]
  • D J Waxman, S S Sundseth, P K Srivastava, D P Lapenson. Gene-specific oligonucleotide probes for alpha, mu, pi, and microsomal rat glutathione S-transferases: analysis of liver transferase expression and its modulation by hepatic enzyme inducers and platinum anticancer drugs. Cancer research. 1992 Oct; 52(20):5797-802. doi: . [PMID: 1394205]
  • W G Balvers, M G Boersma, C Veeger, I M Rietjens. Differential cumene hydroperoxide sensitivity of cytochrome P-450 enzymes IA1 and IIB1 determined by their way of membrane incorporation. Biochimica et biophysica acta. 1992 Sep; 1117(2):179-87. doi: 10.1016/0304-4165(92)90077-8. [PMID: 1525178]
  • P G Forkert, H A Barton, M G Costantini, M A Marletta. The 4S polycyclic aromatic hydrocarbon-binding protein: immunohistochemical localization in mice. Carcinogenesis. 1990 Oct; 11(10):1831-5. doi: 10.1093/carcin/11.10.1831. [PMID: 2208597]
  • S F Ng, D J Waxman. Biotransformation of N,N',N''-triethylenethiophosphoramide: oxidative desulfuration to yield N,N',N''-triethylenephosphoramide associated with suicide inactivation of a phenobarbital-inducible hepatic P-450 monooxygenase. Cancer research. 1990 Feb; 50(3):464-71. doi: . [PMID: 2105156]
  • D Sesardic, K J Cole, R J Edwards, D S Davies, P E Thomas, W Levin, A R Boobis. The inducibility and catalytic activity of cytochromes P450c (P450IA1) and P450d (P450IA2) in rat tissues. Biochemical pharmacology. 1990 Feb; 39(3):499-506. doi: 10.1016/0006-2952(90)90056-q. [PMID: 2306262]
  • N Tuteja, F J Gonzalez, D W Nebert. Developmental and tissue-specific differential regulation of the mouse dioxin-inducible P1-450 and P3-450 genes. Developmental biology. 1985 Nov; 112(1):177-84. doi: 10.1016/0012-1606(85)90131-9. [PMID: 4054433]
  • P Skett, P Paterson. Sex differences in the effects of microsomal enzyme inducers on hepatic phase I drug metabolism in the rat. Biochemical pharmacology. 1985 Oct; 34(19):3533-6. doi: 10.1016/0006-2952(85)90729-4. [PMID: 4052097]
  • J E De Larco, D A Pigott. Ectopic peptides released by a human melanoma cell line that modulate the transformed phenotype. Ciba Foundation symposium. 1985; 116(?):224-40. doi: 10.1002/9780470720974.ch14. [PMID: 3000706]
  • T Ikeda, M Altieri, Y T Chen, M Nakamura, R H Tukey, D W Nebert, M Negishi. Characterization of cytochrome P2-450 (20-S) mRNA. Association with the P1-450 genomic gene and differential response to the inducers 3-methylcholanthrene and isosafrole. European journal of biochemistry. 1983 Jul; 134(1):13-8. doi: 10.1111/j.1432-1033.1983.tb07524.x. [PMID: 6861755]
  • J B Hook, C R Elcombe, M S Rose, E A Lock. Characterization of the effects of known hepatic monooxygenase inducers on male and female rat and mouse kidneys. Life sciences. 1982 Sep; 31(11):1077-84. doi: 10.1016/0024-3205(82)90080-7. [PMID: 6815396]
  • J Klungsøyr, R R Scheline. Metabolism of isosafrole and dihydrosafrole in the rat. Biomedical mass spectrometry. 1982 Aug; 9(8):323-9. doi: 10.1002/bms.1200090803. [PMID: 7126764]
  • T Uemura, G Sakaguchi, T Ito, K Okazawa, S Sakai. Experimental diarrhea in cynomolgus monkeys by oral administration with Clostridium perfringens type A viable cells or enterotoxin. Japanese journal of medical science & biology. 1975 Jun; 28(3):165-77. doi: 10.7883/yoken1952.28.165. [PMID: 525]