5-Mop (BioDeep_00000861001)

PANOMIX_OTCML-2023

代谢物信息卡片

InChI=1\C12H8O4\c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9\h2-6H,1H

化学式: C12H8O4 (216.0423)
中文名称: 佛手柑内酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
InChI: InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3

描述信息

D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
D000893 - Anti-Inflammatory Agents
D003879 - Dermatologic Agents
Bergapten is a natural anti-inflammatory and anti-tumor agent. Bergapten is inhibitory towards mouse and human CYP isoforms.
Bergapten is a natural anti-inflammatory and anti-tumor agent. Bergapten is inhibitory towards mouse and human CYP isoforms.

同义名列表

71 个代谢物同义名

InChI=1\C12H8O4\c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9\h2-6H,1H; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; 5-19-06-00004 (Beilstein Handbook Reference); 5-Methoxypsoralen with ultraviolet A therapy; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; 4-Methoxyfuro[3,2-g]benzopyrane-7-one; 4-Methoxy-7H-furo[3,2-g]chromen-7-one; 4-Methoxy-furo[3,2-g]chromen-7-one; 4-methoxyfuro[3,2-g]chromen-7-one; 4-methoxy-7-furo[3,2-g]chromenone; 5-Methoxy-6,7-furanocoumarin; 5-Methoxyfuranocoumarin; SDCCGMLS-0066492.P001; 5-Methoxy psoralen; O-Methylbergaptol; 5-methoxypsoralen; Spectrum5_000155; Spectrum4_001478; Spectrum3_000663; EINECS 207-604-5; Spectrum2_000534; NCGC00091582-01; NCGC00017357-01; NCGC00091582-02; NCGC00091582-03; Spectrum_000794; SPECTRUM300546; 275727_ALDRICH; BSPBio_002325; KBioGR_002055; DivK1c_000529; MEGxp0_000990; KBioSS_001274; Oprea1_562364; NCI60_042121; KBio2_001274; NINDS_000529; ZINC00057731; KBio2_003842; KBio2_006410; ACon1_001979; ACon0_000984; SPBio_000547; BAS 00674110; KBio1_000529; KBio3_001545; Bergapten(e); IDI1_000529; AIDS-031096; BRN 0019560; 65320_FLUKA; bergaptene; CCRIS 4348; AIDS031096; BERGAPTAN; NSC 95437; Bergapten; Psoraderm; HSDB 3466; TNP00299; Heraclin; NSC95437; 484-20-8; ST057259; Majudin; C01557; 5-Mop; Bergapten; Bergapten

数据库引用编号

13 个数据库交叉引用编号

ChEBI: CHEBI:18293
KEGG: C01557
PubChem: 2355
DrugBank: DB12216
ChEMBL: CHEMBL24171
MeSH: 5-Methoxypsoralen
CAS: 484-20-8
PubChem: 4715
KNApSAcK: C00000575
3DMET: B00318
NIKKAJI: J12.563F
medchemexpress: HY-N0370
KNApSAcK: 18293

分类词条

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)

193 个相关的物种来源信息

354485 - Acronychia pedunculata: 10.1016/0031-9422(89)80234-1
68527 - Aegle marmelos: 10.1078/094471103322004794
4456 - Alocasia macrorrhizos: 10.1007/S10600-008-9114-Z
48025 - Ammi: 10.1016/0041-5553(76)90065-3
48026 - Ammi majus:
40922 - Anethum graveolens:
55605 - Angelica acutiloba:
357845 - Angelica anomala: 10.1248/YAKUSHI1947.87.9_1118
40949 - Angelica archangelica:
48101 - Angelica dahurica:
52491 - Angelica decursiva:
85712 - Angelica gigas:
2788934 - Angelica glauca: 10.1080/10286020701273759
48115 - Angelica gmelinii: 10.1248/CPB.31.64
265806 - Angelica japonica:
357850 - Angelica keiskei:
46362 - Angelica lucida: 10.1248/CPB.31.64
312530 - Angelica pubescens:
1080328 - Angelica shikokiana: 10.1016/0378-8741(89)90033-0
165353 - Angelica sinensis:
2831629 - Angelica taiwaniana:
2831630 - Angelica tarokoensis: 10.1002/JCCS.197000012
357859 - Angelica ursina:
48027 - Anthriscus sylvestris: 10.1248/BPB.30.1340
4045 - Apium graveolens:
178647 - Arracacia tolucensis: 10.1016/J.JEP.2007.05.015
282648 - Asterolasia phebalioides: 10.1016/0305-1978(94)90036-1
339519 - Astragalus pycnocephalus: 10.1007/BF00598779
76951 - Atalantia ceylanica: 10.1016/S0031-9422(98)00638-4
886265 - Balanites aegyptiaca: 10.1055/S-2007-971481
53836 - Bituminaria bituminosa: 10.1139/B91-212
452763 - Boenninghausenia albiflora:
1620273 - Brosimum gaudichaudii:
489421 - Cachrys sicula: 10.1016/S0031-9422(00)85511-9
1108177 - Campylotropis hirtella: 10.1248/CPB.56.1338
47643 - Caragana frutex: 10.1007/BF00575186
48032 - Carum carvi: 10.1016/S0031-9422(00)81503-4
2706 - Citrus: 10.1002/JSFA.2979
37334 - Citrus maxima: 10.1016/S0021-9258(18)51679-3
171251 - Citrus medica:
37690 - Citrus trifoliata:
475932 - Citrus wilsonii: 10.1016/S0021-9258(18)51679-3
159034 - Clausena anisata: 10.1016/0031-9422(89)80056-1
48111 - Cnidium japonicum: 10.1016/S0031-9422(00)90538-7
94007 - Cnidium monnieri:
4047 - Coriandrum sativum: 10.1016/S0031-9422(00)81503-4
4039 - Daucus carota:
489439 - Deverra tortuosa:
298346 - Dictamnus albus:
354492 - Dinosperma melanophloium: 10.1016/S0305-1978(97)00116-6
2749845 - Dinosperma stipitatum: 10.1016/0031-9422(94)85101-8
241876 - Dorstenia arifolia:
382339 - Dorstenia bahiensis:
2604976 - Dorstenia barnimiana: 10.1016/S0031-9422(00)00419-2
984796 - Dorstenia brasiliensis:
984798 - Dorstenia cayapia: 10.1016/S0031-9422(00)00419-2
984801 - Dorstenia contrajerva:
984804 - Dorstenia drakena:
984806 - Dorstenia elliptica: 10.1016/J.PHYTOCHEM.2003.10.028
984809 - Dorstenia foetida: 10.1016/J.PHYTOCHEM.2011.03.008
984813 - Dorstenia lindeniana: 10.1016/S0031-9422(00)00419-2
2605001 - Dorstenia prorepens: 10.1016/S0031-9422(01)00483-6
106723 - Dorstenia psilurus: 10.1016/S0031-9422(00)00419-2
1136744 - Esenbeckia berlandieri: 10.1016/S0305-1978(01)00138-7
1654694 - Esenbeckia febrifuga: 10.1016/J.PHYMED.2008.02.001
1778592 - Euphorbia bivonae: 10.1007/S10600-011-0026-Y
241879 - Fatoua pilosa: 10.1002/CBDV.200900326
66391 - Fatoua villosa: 10.1002/CBDV.200900326
558542 - Feroniella lucida: 10.1080/10286020.2011.572878
3494 - Ficus carica:
182114 - Ficus glumosa: 10.1590/S0103-50532012000300015
66386 - Ficus pumila:
1118428 - Ficus tsjakela: 10.21608/BFSA.2001.65755
100580 - Ficus virens: 10.21608/BFSA.2001.65755
180113 - Garcinia parvifolia: 10.1021/NP8006364
48119 - Glehnia littoralis:
76967 - Glycosmis pentaphylla: 10.1016/S0031-9422(00)97490-9
239644 - Halosciastrum melanotilingia:
165499 - Hansenia forbesii:
54724 - Hansenia weberbaueriana:
63009 - Heracleum aconitifolium: 10.1007/BF00580082
380072 - Heracleum asperum:
99506 - Heracleum candicans: 10.1016/S0040-4020(01)82304-8
1162817 - Heracleum candolleanum: 10.1248/CPB.53.701
380073 - Heracleum dissectum:
380075 - Heracleum grandiflorum:
376866 - Heracleum lehmannianum: 10.1007/BF00570685
380076 - Heracleum leskovii: 10.1007/BF01134615
380077 - Heracleum mantegazzianum:
40918 - Heracleum maximum:
99507 - Heracleum moellendorffii: 10.1007/BF00563460
996940 - Heracleum moellendorffii var. paucivittatum: 10.1007/BF00600845
360621 - Heracleum persicum: 10.1016/S0031-9422(00)85242-5
376867 - Heracleum ponticum: 10.1007/BF00563460
692011 - Heracleum rapula: 10.1080/10286020290019677
40919 - Heracleum sphondylium:
542670 - Heracleum stevenii: 10.1111/J.1600-0536.1983.TB04386.X
692013 - Heracleum vicinum: 10.1248/CPB.53.701
473995 - Heracleum yungningense: 10.1248/CPB.53.701
2749842 - Leionema ambiens: 10.1016/0031-9422(92)83450-D
48042 - Levisticum officinale:
49551 - Ligusticum: 10.1016/0031-9422(75)85149-1
159053 - Limonia acidissima:
194324 - Maclura cochinchinensis: 10.1021/NP000406P
681588 - Magydaris pastinacea: 10.1021/NP50050A046
496675 - Meeboldia yunnanensis:
1487095 - Melicope borbonica: 10.1016/S0378-8741(98)00137-8
1487105 - Melicope denhamii: 10.1016/J.TET.2012.01.007
1336624 - Melicope latifolia: 10.1016/0031-9422(90)80154-9
1331801 - Metrodorea flavida: 10.1016/0031-9422(96)00232-4
549427 - Metrodorea nigra: 10.1016/0031-9422(95)00504-Z
2901850 - Murraya exotica: 10.1016/S0031-9422(00)97490-9
43711 - Murraya paniculata: 10.1016/S0031-9422(00)97490-9
354507 - Orixa japonica:
374961 - Paris dunniana: 10.1248/CPB.54.897
4041 - Pastinaca sativa:
4043 - Petroselinum crispum:
49563 - Peucedanum japonicum:
2927891 - Peucedanum mashanense: 10.1055/S-0036-1596440
203712 - Peucedanum officinale: 10.1007/BF02066241
52477 - Peucedanum ostruthium: 10.1016/S0031-9422(00)80344-1
1572681 - Peucedanum palustre: 10.1055/S-2006-961919
408989 - Peucedanum tauricum: 10.1016/J.PHYTOCHEM.2005.01.022
282637 - Phebalium filifolium: 10.1016/0031-9422(92)83450-D
282633 - Phebalium squamulosum: 10.1016/0031-9422(92)83450-D
354508 - Phellodendron chinense: 10.1139/B91-065
271192 - Pimpinella anisum:
40959 - Pimpinella saxifraga: 10.1007/BF00899143
33090 - Plants: -
948492 - Pleurospermum rivulorum: 10.1016/S0031-9422(97)00123-4
46147 - Portulaca oleracea: 10.1002/HLCA.201000250
1585705 - Prangos lipskyi: 10.1007/BF00570686
1585712 - Prangos tschimganica: 10.1248/CPB.49.877
325744 - Prangos uloptera:
884312 - Prionosciadium thapsoides: 10.1021/NP800387W
405848 - Psilopeganum sinense: 10.1016/0305-1978(88)90011-7
282620 - Rhadinothamnus anceps:
452790 - Ruta chalepensis:
37565 - Ruta graveolens:
675743 - Ruta macrophylla: 10.1007/BF00055511
266085 - Ruta montana:
452794 - Ruta pinnata: 10.1139/B93-109
23513 - Rutaceae: 10.1351/PAC200173030617
35974 - Santalum Album L\uff0e: -
203717 - Saposhnikovia divaricata:
1161150 - Scabiosa comosa:
491195 - Semenovia dasycarpa:
2502068 - Seseli dichotomum: 10.1016/S0040-4039(00)72373-2
460996 - Seseli mairei: 10.1016/S0040-4039(00)72373-2
63039 - Seseli peucedanoides: 10.1016/J.PHYTOCHEM.2005.01.022
2502079 - Seseli ponticum: 10.1016/S0040-4039(00)72373-2
223585 - Seseli tortuosum: 10.1016/S0040-4039(00)72373-2
496698 - Seseli yunnanense: 10.1016/S0040-4039(00)72373-2
210365 - Skimmia japonica: 10.1055/S-2006-962141
354518 - Skimmia laureola: 10.1016/S0031-9422(00)81759-8
354521 - Tetradium daniellii:
452800 - Thamnosma texana: 10.1016/S0031-9422(00)80348-9
63045 - Thysselinum palustre: 10.1055/S-2006-961919
491192 - Tordyliopsis brunonis: 10.1021/NP50048A034
489417 - Tordylium apulum: 10.1055/S-2006-957398
1898452 - Trichocline caulescens: 10.1016/S0031-9422(00)98112-3
3908 - Vicia sativa: 10.1007/BF00598366
159071 - Zanthoxylum ailanthoides:
2839963 - Zanthoxylum asiaticum: 10.1055/S-0034-1368568
1500039 - Zanthoxylum echinocarpum: 10.1021/NP800689B
1056472 - Zanthoxylum mayu:
354530 - Zanthoxylum schinifolium:
2714546 - Zanthoxylum tragodes: 10.1248/YAKUSHI1947.73.7_770
2099548 - Zanthoxylum zanthoxyloides: 10.1021/NP50046A035
94328 - Zingiber Officinale Roscoe: -
49562 - 前胡: -
37334 - 化橘红: -
33090 - 北沙参: -
33090 - 商陆: -
33090 - 天山雪莲: -
33090 - 小茴香: -
33090 - 枳实: -
3498 - 桑叶: -
33090 - 橘红: -
33090 - 檀香: -
312530 - 独活: -
33090 - 生姜: -
33090 - 白芷: -
33090 - 石菖蒲: -
33090 - 紫花前胡: -
33090 - 羌活: -
4047 - 芫荽: -
33090 - 花椒: -
33090 - 蒿本: -
33090 - 蛇床子: -
203717 - 防风: -
33090 - 香薷: -
33090 - 马齿苋: -

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, CASP3, CASP9, CAT, CTNNB1, CYP3A4, MAPK14, PIK3CA, PRPF19, PTGS2, TYR
Peripheral membrane protein	3	ACHE, CYP1B1, PTGS2
Endoplasmic reticulum membrane	4	CYP1A2, CYP1B1, CYP3A4, PTGS2
Nucleus	7	ACHE, ALB, CASP3, CASP9, CTNNB1, MAPK14, PRPF19
cytosol	7	ALB, CASP3, CASP9, CAT, CTNNB1, MAPK14, PIK3CA
centrosome	2	ALB, CTNNB1
nucleoplasm	4	CASP3, CTNNB1, MAPK14, PRPF19
Cell membrane	3	ACHE, CTNNB1, TNF
lamellipodium	2	CTNNB1, PIK3CA
Multi-pass membrane protein	1	KCNA3
Synapse	2	ACHE, CTNNB1
cell cortex	1	CTNNB1
cell junction	1	CTNNB1
cell surface	2	ACHE, TNF
glutamatergic synapse	4	CASP3, CTNNB1, KCNA3, MAPK14
Golgi apparatus	2	ACHE, ALB
Golgi membrane	1	INS
neuromuscular junction	1	ACHE
neuronal cell body	2	CASP3, TNF
presynaptic membrane	2	CTNNB1, KCNA3
Lysosome	1	TYR
plasma membrane	5	ACHE, CTNNB1, KCNA3, PIK3CA, TNF
Membrane	7	ACHE, CAT, CTNNB1, CYP1B1, CYP3A4, KCNA3, PRPF19
axon	1	KCNA3
basolateral plasma membrane	1	CTNNB1
caveola	1	PTGS2
extracellular exosome	3	ALB, CAT, CTNNB1
endoplasmic reticulum	2	ALB, PTGS2
extracellular space	6	ACHE, ALB, IL10, IL6, INS, TNF
perinuclear region of cytoplasm	5	ACHE, CTNNB1, KCNA3, PIK3CA, TYR
Schaffer collateral - CA1 synapse	1	CTNNB1
adherens junction	1	CTNNB1
apicolateral plasma membrane	1	CTNNB1
bicellular tight junction	1	CTNNB1
intercalated disc	1	PIK3CA
mitochondrion	4	CASP9, CAT, CYP1B1, MAPK14
protein-containing complex	5	ALB, CASP9, CAT, CTNNB1, PTGS2
intracellular membrane-bounded organelle	5	CAT, CYP1A2, CYP1B1, CYP3A4, TYR
Microsome membrane	4	CYP1A2, CYP1B1, CYP3A4, PTGS2
postsynaptic density	1	CASP3
Single-pass type I membrane protein	1	TYR
Secreted	5	ACHE, ALB, IL10, IL6, INS
extracellular region	8	ACHE, ALB, CAT, IL10, IL6, INS, MAPK14, TNF
mitochondrial matrix	1	CAT
Extracellular side	1	ACHE
anchoring junction	1	ALB
transcription regulator complex	1	CTNNB1
external side of plasma membrane	1	TNF
Z disc	1	CTNNB1
beta-catenin destruction complex	1	CTNNB1
Wnt signalosome	1	CTNNB1
Melanosome membrane	1	TYR
apical part of cell	1	CTNNB1
cell-cell junction	1	CTNNB1
Golgi-associated vesicle	1	TYR
recycling endosome	1	TNF
Single-pass type II membrane protein	1	TNF
postsynaptic membrane	2	CTNNB1, KCNA3
Membrane raft	2	KCNA3, TNF
Cytoplasm, cytoskeleton	1	CTNNB1
Cytoplasm, cytoskeleton, spindle	1	PRPF19
focal adhesion	2	CAT, CTNNB1
spindle	1	PRPF19
Cell junction, adherens junction	1	CTNNB1
flotillin complex	1	CTNNB1
Peroxisome	1	CAT
basement membrane	1	ACHE
Peroxisome matrix	1	CAT
peroxisomal matrix	1	CAT
peroxisomal membrane	1	CAT
fascia adherens	1	CTNNB1
lateral plasma membrane	1	CTNNB1
nuclear speck	2	MAPK14, PRPF19
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	1	ALB
phagocytic cup	1	TNF
cell periphery	1	CTNNB1
Cytoplasm, cytoskeleton, cilium basal body	1	CTNNB1
centriole	1	ALB
spindle pole	3	ALB, CTNNB1, MAPK14
blood microparticle	1	ALB
postsynaptic density, intracellular component	1	CTNNB1
Lipid-anchor, GPI-anchor	1	ACHE
microvillus membrane	1	CTNNB1
spliceosomal complex	1	PRPF19
[Isoform 2]: Cell membrane	1	KCNA3
site of double-strand break	1	PRPF19
Endomembrane system	1	CTNNB1
endosome lumen	1	INS
Lipid droplet	1	PRPF19
Nucleus, nucleoplasm	1	PRPF19
Melanosome	1	TYR
euchromatin	1	CTNNB1
side of membrane	1	ACHE
voltage-gated potassium channel complex	1	KCNA3
ficolin-1-rich granule lumen	2	CAT, MAPK14
secretory granule lumen	3	CAT, INS, MAPK14
Golgi lumen	1	INS
endoplasmic reticulum lumen	4	ALB, IL6, INS, PTGS2
platelet alpha granule lumen	1	ALB
phosphatidylinositol 3-kinase complex	1	PIK3CA
phosphatidylinositol 3-kinase complex, class IA	1	PIK3CA
transport vesicle	1	INS
beta-catenin-TCF complex	1	CTNNB1
Endoplasmic reticulum-Golgi intermediate compartment membrane	1	INS
apoptosome	1	CASP9
presynaptic active zone cytoplasmic component	1	CTNNB1
calyx of Held	1	KCNA3
synaptic cleft	1	ACHE
U2-type catalytic step 1 spliceosome	1	PRPF19
protein-DNA complex	1	CTNNB1
death-inducing signaling complex	1	CASP3
[Isoform 1]: Cell membrane	1	KCNA3
catalytic step 2 spliceosome	1	PRPF19
Prp19 complex	1	PRPF19
U2-type catalytic step 2 spliceosome	1	PRPF19
catenin complex	1	CTNNB1
[Tumor necrosis factor, soluble form]: Secreted	1	TNF
catalase complex	1	CAT
interleukin-6 receptor complex	1	IL6
beta-catenin-TCF7L2 complex	1	CTNNB1
[Isoform 3]: Cytoplasm, perinuclear region	1	KCNA3
[Isoform H]: Cell membrane	1	ACHE
beta-catenin-ICAT complex	1	CTNNB1
Scrib-APC-beta-catenin complex	1	CTNNB1
phosphatidylinositol 3-kinase complex, class IB	1	PIK3CA
ciliary transition fiber	1	ALB
caspase complex	1	CASP9
[C-domain 2]: Secreted	1	TNF
[Tumor necrosis factor, membrane form]: Membrane	1	TNF
[C-domain 1]: Secreted	1	TNF

文献列表

Tianshu Xu, Jiyuan Yin, Xuan Dai, Tianyuan Liu, Hanfen Shi, Yueyi Zhang, Shan Wang, Gaiyue Yue, Yanfei Zhang, Dandan Zhao, Sihua Gao, Marc Prentki, Lili Wang, Dongwei Zhang. Cnidii Fructus: A traditional Chinese medicine herb and source of antiosteoporotic drugs. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2024 Jun; 128(?):155375. doi: 10.1016/j.phymed.2024.155375. [PMID: 38507853]
Chong Gao, Zhong-He Hu, Zhen-Yu Cui, Yu-Chen Jiang, Jia-Yi Dou, Zhao-Xu Li, Li-Hua Lian, Ji-Xing Nan, Yan-Ling Wu. Angelica dahurica extract and its effective component bergapten alleviated hepatic fibrosis by activating FXR signaling pathway. Journal of natural medicines. 2024 Mar; 78(2):427-438. doi: 10.1007/s11418-024-01780-8. [PMID: 38334900]
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