trioxsalen (BioDeep_00000869055)

Main id: BioDeep_00000002503

 

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


5-Benzofuranacrylic acid, 6-hydroxy-.beta.,2,7-trimethyl-, .delta.-lactone

化学式: C14H12O3 (228.0786)
中文名称: 三甲沙林
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C
InChI: InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3

描述信息

D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use
D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use > D05AD - Psoralens for topical use
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent
D003879 - Dermatologic Agents
Trioxsalen (Trisoralen), a psoralen derivative, is a photochemical DNA crosslinker. Trioxsalen only works after photoactivation with near ultraviolet light. Trioxsalen is a photosensitizer that can be used for the research of vitiligo and hand eczema. Trioxsalen is used for visualization of genomic interstrand cross-links localized by laser photoactivation[1][2][3].

同义名列表

89 个代谢物同义名

5-Benzofuranacrylic acid, 6-hydroxy-.beta.,2,7-trimethyl-, .delta.-lactone; 6-Hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid, delta-lactone; 6-Hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid gamma-lactone; 7H-Furo[3,2-g][1]benzopyran-7-one, 2,5,9-trimethyl-; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,5,9-trimethyl-; BENZOFURANACRYLIC ACID,6-HYDROXY-B,2,7-TRIMETHYL-,; 2,5,9-Trimethyl-7H-furo[3,2-g][1]benzopyran-7-one; 7-Oxo-2,5,9-Trimethyl-7H-furo(3,2-g)(1)benzopyron; 2,5,9-Trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one; 2,5,9-trimethylpyrano[5,6-f][1]benzoxol-7-one; 2,5,9-trimethyl-7-pyrano[5,6-f]benzofuranone; 2,5,9-trimethylpyrano[5,6-f]benzofuran-7-one; 5-19-04-00472 (Beilstein Handbook Reference); 2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one; 2,5,9-Trimethylfuro[3,2-g]benzopyran-7-one; Trioxisaleno [INN-Spanish]; Trioxysalenum [INN-Latin]; Trioxysalene [INN-French]; 4,5,8-Trimethylpsoralene; 4,5′,8-Trimethylpsoralen; 4,5,8-Trimethyl psoralen; 2,4,8-Trimethylpsoralen; 4,8,5-Trimethylpsoralen; 4,5,8-Trimethylpsoralen; Trioxysalen (JAN\INN); SDCCGMLS-0066609.P001; Trioxsalen [USAN]; Trimethylpsoralen; Prestwick1_000709; Prestwick2_000709; Prestwick3_000709; Prestwick0_000709; Trioxsalen (USP); Spectrum3_001378; Spectrum5_001557; Spectrum4_000883; EINECS 223-459-0; Spectrum2_001083; NCGC00094804-02; SPECTRUM1500596; NCGC00094804-01; Trisoralen (TN); Spectrum_000169; NCGC00016643-01; BPBio1_000987; BSPBio_002936; KBioGR_001286; MEGxm0_000462; Oprea1_203343; KBioSS_000649; CAS-3902-71-4; Prestwick_148; antipsoriatic; BSPBio_000897; DivK1c_000380; NCI60_038883; ZINC00002226; KBio1_000380; ACon1_000251; KBio2_003217; ACon0_000603; SPBio_002818; NINDS_000380; SPBio_001126; KBio2_000649; KBio2_005785; KBio3_002156; AIDS-012118; T6137_SIGMA; CHEBI:28329; Trioxysalen; BRN 0221723; 92895_FLUKA; IDI1_000380; AIDS012118; trioxsalen; Trisoralen; TRIOXSALIN; Elder 8011; ST5307088; NSC-71047; 3902-71-4; NSC 71047; NSC71047; LACTONE; D01034; C09314; TMP; Trioxsalen



数据库引用编号

14 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)

9 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 9 ABCB1, AKT1, ALB, CASP3, CYP3A4, MAPK14, PTGS2, TUBB4B, VEGFA
Peripheral membrane protein 3 COQ10A, CYP1B1, PTGS2
Endoplasmic reticulum membrane 5 CYP1B1, CYP3A4, HMGCR, PON1, PTGS2
Mitochondrion membrane 1 ABCG2
Nucleus 7 AKT1, ALB, CASP3, MAPK14, TOP1, TUBB4B, VEGFA
cytosol 7 AKT1, ALB, CASP3, LIPE, MAPK14, PRKCQ, TUBB4B
mitochondrial membrane 1 ABCG2
centrosome 1 ALB
nucleoplasm 6 ABCG2, AKT1, ATP2B1, CASP3, MAPK14, TOP1
Cell membrane 6 ABCB1, ABCG2, AKT1, ATP2B1, LIPE, TNF
lamellipodium 1 AKT1
Multi-pass membrane protein 4 ABCB1, ABCG2, ATP2B1, HMGCR
Synapse 1 ATP2B1
cell cortex 1 AKT1
cell surface 3 ABCB1, TNF, VEGFA
glutamatergic synapse 4 AKT1, ATP2B1, CASP3, MAPK14
Golgi apparatus 2 ALB, VEGFA
mitochondrial inner membrane 1 COQ10A
neuronal cell body 2 CASP3, TNF
postsynapse 1 AKT1
presynaptic membrane 1 ATP2B1
Cytoplasm, cytosol 1 LIPE
plasma membrane 6 ABCB1, ABCG2, AKT1, ATP2B1, PRKCQ, TNF
synaptic vesicle membrane 1 ATP2B1
Membrane 9 ABCB1, ABCG2, AKT1, ATP2B1, CYP1B1, CYP3A4, HMGCR, LIPE, VEGFA
apical plasma membrane 2 ABCB1, ABCG2
basolateral plasma membrane 1 ATP2B1
caveola 2 LIPE, PTGS2
extracellular exosome 5 ABCB1, ALB, ATP2B1, PON1, TUBB4B
endoplasmic reticulum 4 ALB, HMGCR, PTGS2, VEGFA
extracellular space 5 ALB, IL6, PON1, TNF, VEGFA
adherens junction 1 VEGFA
mitochondrion 3 COQ10A, CYP1B1, MAPK14
protein-containing complex 3 AKT1, ALB, PTGS2
intracellular membrane-bounded organelle 3 ATP2B1, CYP1B1, CYP3A4
Microsome membrane 3 CYP1B1, CYP3A4, PTGS2
postsynaptic density 1 CASP3
Secreted 3 ALB, IL6, VEGFA
extracellular region 7 ALB, IL6, MAPK14, PON1, TNF, TUBB4B, VEGFA
anchoring junction 1 ALB
centriolar satellite 1 PRKCQ
Cytoplasmic vesicle, secretory vesicle, synaptic vesicle membrane 1 ATP2B1
external side of plasma membrane 1 TNF
Extracellular vesicle 1 TUBB4B
Secreted, extracellular space, extracellular matrix 1 VEGFA
high-density lipoprotein particle 1 PON1
perikaryon 1 TOP1
microtubule cytoskeleton 2 AKT1, TUBB4B
nucleolus 1 TOP1
P-body 1 TOP1
cell-cell junction 1 AKT1
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
vesicle 1 AKT1
Apical cell membrane 2 ABCB1, ABCG2
Mitochondrion inner membrane 1 COQ10A
Matrix side 1 COQ10A
Membrane raft 2 ABCG2, TNF
Cytoplasm, cytoskeleton 1 TUBB4B
microtubule 1 TUBB4B
spindle 1 AKT1
extracellular matrix 1 VEGFA
peroxisomal membrane 1 HMGCR
Mitochondrion intermembrane space 1 AKT1
mitochondrial intermembrane space 1 AKT1
secretory granule 1 VEGFA
lateral plasma membrane 1 ATP2B1
nuclear speck 1 MAPK14
Nucleus inner membrane 1 PTGS2
Nucleus outer membrane 1 PTGS2
nuclear inner membrane 1 PTGS2
nuclear outer membrane 1 PTGS2
neuron projection 1 PTGS2
ciliary basal body 2 AKT1, ALB
cell projection 1 ATP2B1
phagocytic cup 1 TNF
mitotic spindle 1 TUBB4B
Chromosome 1 TOP1
cytoskeleton 1 TUBB4B
centriole 1 ALB
brush border membrane 1 ABCG2
Nucleus, nucleolus 1 TOP1
spindle pole 2 ALB, MAPK14
blood microparticle 2 ALB, PON1
Basolateral cell membrane 1 ATP2B1
intercellular bridge 1 TUBB4B
Cytoplasm, cytoskeleton, flagellum axoneme 1 TUBB4B
sperm flagellum 1 TUBB4B
fibrillar center 1 TOP1
Lipid droplet 1 LIPE
Membrane, caveola 1 LIPE
axonemal microtubule 1 TUBB4B
Nucleus, nucleoplasm 1 TOP1
Presynaptic cell membrane 1 ATP2B1
Peroxisome membrane 1 HMGCR
ficolin-1-rich granule lumen 1 MAPK14
secretory granule lumen 1 MAPK14
endoplasmic reticulum lumen 3 ALB, IL6, PTGS2
male germ cell nucleus 1 TOP1
platelet alpha granule lumen 2 ALB, VEGFA
azurophil granule lumen 1 TUBB4B
immunological synapse 2 ATP2B1, PRKCQ
aggresome 1 PRKCQ
protein-DNA complex 1 TOP1
external side of apical plasma membrane 2 ABCB1, ABCG2
death-inducing signaling complex 1 CASP3
spherical high-density lipoprotein particle 1 PON1
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
interleukin-6 receptor complex 1 IL6
photoreceptor ribbon synapse 1 ATP2B1
[N-VEGF]: Cytoplasm 1 VEGFA
[VEGFA]: Secreted 1 VEGFA
[Isoform L-VEGF189]: Endoplasmic reticulum 1 VEGFA
[Isoform VEGF121]: Secreted 1 VEGFA
[Isoform VEGF165]: Secreted 1 VEGFA
VEGF-A complex 1 VEGFA
ciliary transition fiber 1 ALB
[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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