Isopimpinellin (BioDeep_00000000214)

Secondary id: BioDeep_00000402939, BioDeep_00000862403

human metabolite PANOMIX_OTCML-2023

代谢物信息卡片

InChI=1/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3

化学式: C13H10O5 (246.052821)
中文名称: 异茴芹内酯, 异虎耳草素, 异茴芹灵
谱图信息: 最多检出来源 Homo sapiens(blood) 5.68%

分子结构信息

SMILES: COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
InChI: InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3

描述信息

Isopimpinellin is a member of psoralens.
Isopimpinellin is a natural product found in Zanthoxylum mayu, Zanthoxylum ovalifolium, and other organisms with data available.
Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip) Isopimpinellin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity.
See also: Angelica keiskei top (part of).
Present in the seeds of Pastinaca sativa (parsnip). Isopimpinellin is found in many foods, some of which are carrot, anise, celery stalks, and fennel.
Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].
Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].

同义名列表

50 个代谢物同义名

InChI=1/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3; 5,8-Dimethoxypsoralen; 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI); 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy-; Isopimpinellin - Angelica archangelica (angelica); 7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-; 4,9-Dimethoxy-7H-furo(3,2-G) (1)benzopyran-7-one; 4,9-Dimethoxy-7H-furo(3,2-g)(1)benzopyran-7-one; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one #; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one; 5,9-dimethoxy-2H-furo[3,2-g]chromen-2-one; 4,9-dimethoxy-7H-furo(3,2-g)chromen-7-one; 4,9-Dimethoxyfuro[3,2-g]benzopyran-7-one; Isopimpinellin (4,9-Dimethoxypsoralen); 4,9-Dimethoxy-furo[3,2-g]chromen-7-one; 4,9-Dimethoxy-7-oxofuro[3,2-g]chromene; 4,9-dimethoxyfuro[3,2-g]chromen-7-one; Isopimpinellin, analytical standard; 5,8-Dimethoxy-6,7-furanocoumarin; DFMAXQKDIGCMTL-UHFFFAOYSA-N; DFMAXQKDIGCMTL-UHFFFAOYSA-; 7H-Furo[3, 4,9-dimethoxy-; 5, 8-Dimethoxypsoralene; 5,8-Dimethoxypsoralene; 5,8-dimethoxypsoralen; 4,9-dimethoxypsoralen; 5-METHOXYXANTHOTOXIN; 8-METHOXYBERGAPTEN; Dimethylpsoralen; Spectrum3_001232; Spectrum4_001442; Spectrum5_000023; Spectrum2_000308; ISO-PIMPINELLIN; UNII-20GCF755G6; Isopimpinellin; Oprea1_593894; DivK1c_006250; MEGxp0_000706; Oprea1_132007; ACon1_002361; NCI60_003765; KBio3_002204; KBio2_003672; KBio2_006240; KBio1_001194; KBio2_001104; 20GCF755G6

数据库引用编号

19 个数据库交叉引用编号

ChEBI: CHEBI:28853
KEGG: C02162
PubChem: 68079
HMDB: HMDB0034312
Metlin: METLIN43730
ChEMBL: CHEMBL140796
Wikipedia: Isopimpinellin
MeSH: isopimpinellin
ChemIDplus: 0000482279
KNApSAcK: C00000583
foodb: FDB012661
chemspider: 61391
CAS: 482-27-9
medchemexpress: HY-N0769
PMhub: MS000010942
PubChem: 5238
3DMET: B01541
NIKKAJI: J5.787H
RefMet: Isopimpinellin

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)

207 个相关的物种来源信息

33090 羊角棉: -
2839963 Zanthoxylum asiaticum:
681593 Niphogeton ternata: 10.1248/CPB.50.115
354521 Tetradium daniellii:
549434 Zanthoxylum rhoifolium: 10.1016/0305-1978(92)90104-L
1136744 Esenbeckia berlandieri: 10.1016/S0305-1978(01)00138-7
159071 Zanthoxylum ailanthoides:
1108177 Campylotropis hirtella: 10.1248/CPB.56.1338
948492 Pleurospermum rivulorum: 10.1016/S0031-9422(97)00123-4
48119 Glehnia littoralis: 10.1016/J.CHROMA.2010.04.076
48026 Ammi majus:
681508 Zanthoxylum ekmanii:
1056472 Zanthoxylum mayu:
1500039 Zanthoxylum echinocarpum:
354528 Zanthoxylum nitidum:
282648 Asterolasia phebalioides: 10.1016/0305-1978(94)90036-1
354492 Dinosperma melanophloium:
681588 Magydaris pastinacea: 10.1021/NP50050A046
452797 Thamnosma montana: 10.1002/J.1537-2197.1953.TB06445.X
549427 Metrodorea nigra: 10.1016/0031-9422(95)00504-Z
265806 Angelica japonica: 10.1248/CPB.29.2565
380075 Heracleum grandiflorum:
996940 Heracleum moellendorffii var. paucivittatum: 10.1007/BF00600845
380077 Heracleum mantegazzianum: 10.1076/1388-0209(200009)3841-AFT308
380076 Heracleum leskovii: 10.1007/BF01134615
452763 Boenninghausenia albiflora:
382339 Dorstenia bahiensis: 10.1016/S0031-9422(00)00419-2
984813 Dorstenia lindeniana: 10.1016/S0031-9422(00)00419-2
2604976 Dorstenia barnimiana: 10.1016/S0031-9422(00)00419-2
106723 Dorstenia psilurus: 10.1016/S0031-9422(00)00419-2
984796 Dorstenia brasiliensis: 10.1016/S0031-9422(00)00419-2
241876 Dorstenia arifolia: 10.1016/S0031-9422(00)00419-2
984804 Dorstenia drakena: 10.1016/S0031-9422(00)00419-2
984801 Dorstenia contrajerva: 10.1016/S0031-9422(00)00419-2
675746 Thamnosma rhodesica:
452800 Thamnosma texana: 10.1016/S0031-9422(00)80348-9
282620 Rhadinothamnus anceps: 10.1016/0031-9422(92)83450-D
2749842 Leionema ambiens: 10.1016/0031-9422(92)83450-D
357850 Angelica keiskei:
159053 Limonia acidissima:
40919 Heracleum sphondylium:
542670 Heracleum stevenii:
376866 Heracleum lehmannianum: 10.1007/BF00570685
692015 Heracleum wolongense: 10.1248/CPB.53.701
692013 Heracleum vicinum: 10.1248/CPB.53.701
380073 Heracleum dissectum:
692011 Heracleum rapula: 10.1080/10286020290019677
549402 Esenbeckia grandiflora: 10.1016/J.FITOTE.2003.08.004
360621 Heracleum persicum: 10.1016/S0031-9422(00)85242-5
40949 Angelica archangelica:
312530 Angelica pubescens:
1778592 Euphorbia bivonae: 10.1007/S10600-011-0026-Y
354518 Skimmia laureola: 10.1016/S0031-9422(00)81759-8
67923 Flindersia bennettiana: 10.1071/CH9600427
1331801 Metrodorea flavida: 10.1016/S0305-1978(98)00107-0
94007 Cnidium monnieri:
2749845 Dinosperma stipitatum: 10.1016/0031-9422(94)85101-8
4456 Alocasia macrorrhizos: 10.1007/S10600-008-9114-Z
489417 Tordylium apulum: 10.1016/S0031-9422(98)00018-1
452790 Ruta chalepensis:
675743 Ruta macrophylla: 10.1007/BF00055511
203717 Saposhnikovia divaricata: 10.1002/RCM.3559
450286 Piper hancei:
357970 Angelica biserrata: 10.1021/NP058080D
48101 Angelica dahurica: 10.1021/NP058080D
239644 Halosciastrum melanotilingia: 10.1021/NP058080D
52491 Angelica decursiva: 10.1021/NP058080D
37565 Ruta graveolens:
452794 Ruta pinnata:
4043 Petroselinum crispum:
489439 Deverra tortuosa:
203712 Peucedanum officinale: 10.1007/BF02066241
2743252 Esenbeckia almawillia: 10.1016/S0031-9422(00)89556-4
380072 Heracleum asperum: 10.1007/BF00563460
376867 Heracleum ponticum: 10.1007/BF00563460
99507 Heracleum moellendorffii: 10.1007/BF00563460
549424 Hortia superba: 10.3390/MOLECULES190812031
1487105 Melicope denhamii: 10.1016/J.TET.2012.01.007
984809 Dorstenia foetida: 10.1016/J.PHYTOCHEM.2011.03.008
4045 Apium graveolens:
4041 Pastinaca sativa:
354507 Orixa japonica: 10.1271/BBB1961.41.1263
54833 Seseli elatum: 10.1016/0031-9422(88)80276-0
223582 Seseli longifolium: 10.1016/0031-9422(88)80276-0
40918 Heracleum maximum: 10.1248/BPB.28.1229
55605 Angelica acutiloba: 10.1021/JF0497049
4039 Daucus carota:
159062 Pamburus missionis:
405848 Psilopeganum sinense: 10.1016/0305-1978(88)90011-7
489421 Cachrys sicula: 10.1016/S0031-9422(00)85511-9
210365 Skimmia japonica: 10.1055/S-2006-962141
2896591 Stauranthus perforatus:
452791 Ruta corsica: 10.1016/J.FITOTE.2003.12.014
68535 Casimiroa edulis:
1056474 Zanthoxylum ovalifolium: 10.1016/S0031-9422(00)84478-7
48111 Cnidium japonicum: 10.1016/S0031-9422(00)90538-7
371369 Ferula mogoltavica: 10.1007/BF00579653
416184 Aeglopsis chevalieri: 10.1021/JO01273A076
63043 Angelica capitellata: 10.1002/JPS.2600580605
266085 Ruta montana: 10.1016/S0367-326X(02)00313-1
40959 Pimpinella saxifraga: 10.1007/BF01638226
2839963 Zanthoxylum asiaticum:
681593 Niphogeton ternata: 10.1248/CPB.50.115
354521 Tetradium daniellii:
549434 Zanthoxylum rhoifolium: 10.1016/0305-1978(92)90104-L
1136744 Esenbeckia berlandieri: 10.1016/S0305-1978(01)00138-7
159071 Zanthoxylum ailanthoides:
1108177 Campylotropis hirtella: 10.1248/CPB.56.1338
948492 Pleurospermum rivulorum: 10.1016/S0031-9422(97)00123-4
48119 Glehnia littoralis: 10.1016/J.CHROMA.2010.04.076
48026 Ammi majus:
681508 Zanthoxylum ekmanii:
1056472 Zanthoxylum mayu:
1500039 Zanthoxylum echinocarpum:
354528 Zanthoxylum nitidum:
282648 Asterolasia phebalioides: 10.1016/0305-1978(94)90036-1
354492 Dinosperma melanophloium:
681588 Magydaris pastinacea: 10.1021/NP50050A046
452797 Thamnosma montana: 10.1002/J.1537-2197.1953.TB06445.X
549427 Metrodorea nigra: 10.1016/0031-9422(95)00504-Z
265806 Angelica japonica: 10.1248/CPB.29.2565
380075 Heracleum grandiflorum:
996940 Heracleum moellendorffii var. paucivittatum: 10.1007/BF00600845
380077 Heracleum mantegazzianum: 10.1076/1388-0209(200009)3841-AFT308
380076 Heracleum leskovii: 10.1007/BF01134615
452763 Boenninghausenia albiflora:
382339 Dorstenia bahiensis: 10.1016/S0031-9422(00)00419-2
984813 Dorstenia lindeniana: 10.1016/S0031-9422(00)00419-2
2604976 Dorstenia barnimiana: 10.1016/S0031-9422(00)00419-2
106723 Dorstenia psilurus: 10.1016/S0031-9422(00)00419-2
984796 Dorstenia brasiliensis: 10.1016/S0031-9422(00)00419-2
241876 Dorstenia arifolia: 10.1016/S0031-9422(00)00419-2
984804 Dorstenia drakena: 10.1016/S0031-9422(00)00419-2
984801 Dorstenia contrajerva: 10.1016/S0031-9422(00)00419-2
675746 Thamnosma rhodesica:
452800 Thamnosma texana: 10.1016/S0031-9422(00)80348-9
282620 Rhadinothamnus anceps: 10.1016/0031-9422(92)83450-D
2749842 Leionema ambiens: 10.1016/0031-9422(92)83450-D
357850 Angelica keiskei:
159053 Limonia acidissima:
40919 Heracleum sphondylium:
542670 Heracleum stevenii:
376866 Heracleum lehmannianum: 10.1007/BF00570685
692015 Heracleum wolongense: 10.1248/CPB.53.701
692013 Heracleum vicinum: 10.1248/CPB.53.701
380073 Heracleum dissectum:
692011 Heracleum rapula: 10.1080/10286020290019677
549402 Esenbeckia grandiflora: 10.1016/J.FITOTE.2003.08.004
360621 Heracleum persicum: 10.1016/S0031-9422(00)85242-5
40949 Angelica archangelica:
312530 Angelica pubescens:
1778592 Euphorbia bivonae: 10.1007/S10600-011-0026-Y
354518 Skimmia laureola: 10.1016/S0031-9422(00)81759-8
67923 Flindersia bennettiana: 10.1071/CH9600427
1331801 Metrodorea flavida: 10.1016/S0305-1978(98)00107-0
94007 Cnidium monnieri:
2749845 Dinosperma stipitatum: 10.1016/0031-9422(94)85101-8
4456 Alocasia macrorrhizos: 10.1007/S10600-008-9114-Z
489417 Tordylium apulum: 10.1016/S0031-9422(98)00018-1
452790 Ruta chalepensis:
675743 Ruta macrophylla: 10.1007/BF00055511
203717 Saposhnikovia divaricata: 10.1002/RCM.3559
450286 Piper hancei:
357970 Angelica biserrata: 10.1021/NP058080D
48101 Angelica dahurica: 10.1021/NP058080D
239644 Halosciastrum melanotilingia: 10.1021/NP058080D
52491 Angelica decursiva: 10.1021/NP058080D
37565 Ruta graveolens:
452794 Ruta pinnata:
4043 Petroselinum crispum:
489439 Deverra tortuosa:
203712 Peucedanum officinale: 10.1007/BF02066241
2743252 Esenbeckia almawillia: 10.1016/S0031-9422(00)89556-4
380072 Heracleum asperum: 10.1007/BF00563460
376867 Heracleum ponticum: 10.1007/BF00563460
99507 Heracleum moellendorffii: 10.1007/BF00563460
549424 Hortia superba: 10.3390/MOLECULES190812031
1487105 Melicope denhamii: 10.1016/J.TET.2012.01.007
984809 Dorstenia foetida: 10.1016/J.PHYTOCHEM.2011.03.008
4045 Apium graveolens:
4041 Pastinaca sativa:
354507 Orixa japonica: 10.1271/BBB1961.41.1263
54833 Seseli elatum: 10.1016/0031-9422(88)80276-0
223582 Seseli longifolium: 10.1016/0031-9422(88)80276-0
40918 Heracleum maximum: 10.1248/BPB.28.1229
55605 Angelica acutiloba: 10.1021/JF0497049
4039 Daucus carota:
159062 Pamburus missionis:
405848 Psilopeganum sinense: 10.1016/0305-1978(88)90011-7
489421 Cachrys sicula: 10.1016/S0031-9422(00)85511-9
210365 Skimmia japonica: 10.1055/S-2006-962141
2896591 Stauranthus perforatus:
452791 Ruta corsica: 10.1016/J.FITOTE.2003.12.014
68535 Casimiroa edulis:
1056474 Zanthoxylum ovalifolium: 10.1016/S0031-9422(00)84478-7
48111 Cnidium japonicum: 10.1016/S0031-9422(00)90538-7
371369 Ferula mogoltavica: 10.1007/BF00579653
416184 Aeglopsis chevalieri: 10.1021/JO01273A076
63043 Angelica capitellata: 10.1002/JPS.2600580605
266085 Ruta montana: 10.1016/S0367-326X(02)00313-1
40959 Pimpinella saxifraga: 10.1007/BF01638226
9606 Homo sapiens: -
354528 Zanthoxylum Nitidum: -
186426 Selaginella Doederleinii Hieron: -
312530 Angelica pubescens Maxim.f. biserata Shan et Yuan: -
526193 Euphorbia ebracteolata Hayata: -
2711 Citrus sinensis Osbeck: -

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。

文献列表

Piseth Nhoek, Sungjin Ahn, Pisey Pel, Young-Mi Kim, Jungmoo Huh, Hyun Woo Kim, Minsoo Noh, Young-Won Chin. Alkaloids and Coumarins with Adiponectin-Secretion-Promoting Activities from the Leaves of Orixa japonica. Journal of natural products. 2023 01; 86(1):138-148. doi: 10.1021/acs.jnatprod.2c00844. [PMID: 36529937]
Wenya Ma, Iftikhar Ali, Yali Li, Hidayat Hussain, Huanzhu Zhao, Xuan Sun, Lei Xie, Li Cui, Daijie Wang. A Simple and Efficient Two-Dimensional High-Speed Counter-Current Chromatography Linear Gradient and Isocratic Elution Modes for the Preparative Separation of Coumarins from Roots of Toddalia asiatica (Linn.) Lam. Molecules (Basel, Switzerland). 2021 Oct; 26(19):. doi: 10.3390/molecules26195986. [PMID: 34641527]
Prashant Joshi, Vinay R Sonawane, Ibidapo S Williams, Glen J P McCann, Linda Gatchie, Rajni Sharma, Naresh Satti, Bhabatosh Chaudhuri, Sandip B Bharate. Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy via screening of a natural product repository. MedChemComm. 2018 Feb; 9(2):371-382. doi: 10.1039/c7md00388a. [PMID: 30108931]
Marie Fomani, Emmanuel Ngeufa Happi, Achille Nouga Bisoue, Jean Claude Ndom, Alain François Kamdem Waffo, Norbert Sewald, Jean Duplex Wansi. Oxidative burst inhibition, cytotoxicity and antibacterial acriquinoline alkaloids from Citrus reticulate (Blanco). Bioorganic & medicinal chemistry letters. 2016 Jan; 26(2):306-309. doi: 10.1016/j.bmcl.2015.12.028. [PMID: 26711890]
Fatima Zerargui, Sabah Boumerfeg, Noureddine Charef, Abderrahmane Baghiani, Meriem Djarmouni, Seddik Khennouf, Lekhmici Arrar, Musa H Abu Zarga, Mohammad S Mubarak. Antioxidant Potentials and Xanthine Oxidase Inhibitory Effect of Two Furanocoumarins Isolated from Tamus communis L. Medicinal chemistry (Shariqah (United Arab Emirates)). 2015; 11(5):506-13. doi: 10.2174/1573406411666150130145246. [PMID: 25633370]
Jing Li, Bo Ma, Qi Zhang, Xiaojing Yang, Jingjing Sun, Bowen Tang, Guangbo Cui, Di Yao, Lei Liu, Guiying Gu, Jianwei Zhu, Ping Wei, Pingkai Ouyang. Simultaneous determination of osthole, bergapten and isopimpinellin in rat plasma and tissues by liquid chromatography-tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2014 Nov; 970(?):77-85. doi: 10.1016/j.jchromb.2014.06.014. [PMID: 25240925]
Henrique D de Menezes, Ana C Pereira, Guilherme T P Brancini, Helton Carlos de Leão, Nelson S Massola Júnior, Luciano Bachmann, Mark Wainwright, Jairo Kenupp Bastos, Gilberto U L Braga. Furocoumarins and coumarins photoinactivate Colletotrichum acutatum and Aspergillus nidulans fungi under solar radiation. Journal of photochemistry and photobiology. B, Biology. 2014 Feb; 131(?):74-83. doi: 10.1016/j.jphotobiol.2014.01.008. [PMID: 24509069]
Taryn O'Neill, John A Johnson, Duncan Webster, Christopher A Gray. The Canadian medicinal plant Heracleum maximum contains antimycobacterial diynes and furanocoumarins. Journal of ethnopharmacology. 2013 May; 147(1):232-7. doi: 10.1016/j.jep.2013.03.009. [PMID: 23501157]
Zhan-Chang Wang, Dan-Qing Feng, Cai-Huan Ke. Coumarins from the Herb Cnidium monnieri and chemically modified derivatives as antifoulants against Balanus albicostatus and Bugula neritina larvae. International journal of molecular sciences. 2013 Jan; 14(1):1197-206. doi: 10.3390/ijms14011197. [PMID: 23303279]
Věra Schulzová, Luboš Babička, Jana Hajšlová. Furanocoumarins in celeriac from different farming systems: a 3-year study. Journal of the science of food and agriculture. 2012 Nov; 92(14):2849-54. doi: 10.1002/jsfa.5629. [PMID: 22407843]
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