Isoteolin (BioDeep_00000001076)

PANOMIX_OTCML-2023

代谢物信息卡片

4H-Dibenzo(de,g)quinolinediol, 5,6,6a,7-tetrahydro-2,9(or 2,10)-dimethoxy-6-methyl-, (S)-

化学式: C19H21NO4 (327.14705060000006)
中文名称: 异波尔定碱
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 3.7%

分子结构信息

SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
InChI: InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1

描述信息

Isoboldine is an aporphine alkaloid.
(+)-Isoboldine is a natural product found in Fumaria capreolata, Thalictrum foetidum, and other organisms with data available.
See also: Peumus boldus leaf (part of).

同义名列表

28 个代谢物同义名

4H-Dibenzo(de,g)quinolinediol, 5,6,6a,7-tetrahydro-2,9(or 2,10)-dimethoxy-6-methyl-, (S)-; 4H-DIBENZO(DE,G)QUINOLINE-1,9-DIOL, 5,6,6A,7-TETRAHYDRO-2,10-DIMETHOXY-6-METHYL-, (6AS)-; 4H-Dibenzo(de,g)quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (S)-; 4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (S)-; (6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol; 2,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol #; 6a.alpha.-Aporphine-1,9-diol, 2,10-dimethoxy-; 6aalpha-Aporphine-1,9-diol, 2,10-dimethoxy-; 2,10-Dimethoxy-6aalpha-aporphine-1,9-diol; LINHZVMHXABQLB-ZDUSSCGKSA-N; N-Methyllaurelliptine; (S)-(+)-Isoboldine; ISOBOLDINE , (+)-; ISOBOLDINE, (+)-; (S)-Isoboldine; (+)-Isoboldine; d-Isoboldine; Isoboldine; Isoteoline; AI3-27548; Isoteolin; Izoteolin; NCGC00017381-01; NCGC00142559-01; 95508-61-5; TNP00331; ST057702; C09541

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:5986
KEGG: C09541
PubChem: 133323
PubChem: 98369
Metlin: METLIN67789
ChEMBL: CHEMBL462880
Wikipedia: Isoteolin
MeSH: isoboldine
ChemIDplus: 0003019510
CAS: 95508-61-5
CAS: 3019-51-0
medchemexpress: HY-N9794
PMhub: MS000021344
MetaboLights: MTBLC5986
PubChem: 11732
KNApSAcK: C00001869
3DMET: B03063
NIKKAJI: J14.552A

分类词条

哌啶生物碱

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)

189 个相关的物种来源信息

33090 苦地丁: -
33090 延胡索: -
33090 草乌: -
56853 Glaucium flavum: 10.1016/S0040-4039(01)97099-6
2072396 Glaucium arabicum: 10.1016/S0040-4039(01)97099-6
88853 Litsea glaucescens: 10.1021/NP010236W
155299 Litsea cubeba:
128648 Nectandra membranacea: 10.3109/13880209309082940
128651 Damburneya salicifolia: 10.3109/13880209309082940
1501471 Stephania officinarum:
1501462 Stephania excentrica:
174969 Uvaria: 10.1016/S0305-1978(97)00101-4
323063 Croton lechleri: 10.1055/S-2006-957745
647292 Erythrina poeppigiana: 10.1039/P19730000874
476039 Thalictrum minus:
1084670 Thalictrum foetidum:
49314 Annona cherimola:
306945 Annona senegalensis:
128613 Dehaasia incrassata: 10.1021/NP960002Q
581246 Corydalis cava: 10.1002/JPS.2600650230
54418 Dicentra peregrina: 10.1201/B16160-69
1053349 Fumaria capreolata:
1464607 Fumaria barnolae: 10.1021/NP50043A036
56853 Glaucium flavum:
2072396 Glaucium arabicum: 10.1016/0031-9422(88)84134-7
1533087 Glaucium corniculatum: 10.1016/S0040-4039(01)97099-6
1464625 Fumaria parviflora:
72189 Stylophorum lasiocarpum: 10.1135/CCCC19911116
1353837 Glaucium fimbrilligerum:
56864 Stylophorum diphyllum: 10.1135/CCCC19840704
185659 Sarcocapnos crassifolia:
38914 Corydalis solida: 10.1135/CCCC19852299
33128 Papaver rhoeas: 10.1135/CCCC19891118
54425 Corydalis intermedia: 10.1135/CCCC19892009
38909 Corydalis nobilis: 10.1135/CCCC19892009
2654223 Lindera sericea: 10.1021/NP50037A045
128640 Lindera umbellata: 10.1021/NP50037A045
1609886 Neolitsea konishii: 10.1002/JCCS.199200031
992813 Xylopia parviflora: 10.1016/J.PHYTOCHEM.2006.07.011
493334 Monodora junodii: 10.1016/J.PHYTOCHEM.2006.07.011
128687 Phoebe formosana:
155299 Litsea cubeba:
2291132 Lindera angustifolia: 10.1016/J.PHYTOCHEM.2003.12.014
344079 Litsea sericea: 10.1016/0731-7085(95)01715-1
1508051 Litsea wightiana: 10.1055/S-2007-969878
46945 Sassafras albidum: 10.1016/S0031-9422(00)97502-2
1365880 Nectandra grandiflora: 10.3109/13880209309082940
796729 Actinodaphne acuminata: 10.1515/ZNB-2009-0717
1345219 Beilschmiedia alloiophylla: 10.1016/J.FITOTE.2011.11.009
128651 Damburneya salicifolia: 10.1021/NP960195H
152367 Stephania cephalantha:
415965 Ocotea glaziovii: 10.1007/978-1-4899-1783-6_3
128648 Nectandra membranacea: 10.1007/978-1-4899-1783-6_3
1112794 Berberis integerrima: 10.1007/BF00631016
323063 Croton lechleri: 10.1021/NP000270V
1433307 Berberis cretica: 10.1021/NP50043A025
152359 Cocculus laurifolius:
1084670 Thalictrum foetidum: 10.1007/BF00579794
453234 Fissistigma oldhamii: 10.1016/J.BMC.2006.10.034
1439896 Berberis nummularia: 10.1007/BF02273928
121073 Cassytha filiformis: 10.1016/S0031-9422(97)00208-2
174962 Uvaria dulcis: 10.1016/S0305-1978(97)00101-4
1317845 Glossocalyx brevipes: 10.1021/NP50041A025
63805 Glossocalyx longicuspis: 10.1021/NP50041A025
128613 Dehaasia incrassata: 10.1016/0040-4020(96)00312-2
395328 Thalictrum alpinum: 10.1021/NP50009A009
1084678 Thalictrum isopyroides: 10.1016/0031-9422(86)80030-9
286046 Aconitum karakolicum:
13441 Cocculus trilobus: 10.1271/BBB1961.32.1187
2294048 Corydalis bulleyana: 10.1055/S-2007-969119
1238147 Corydalis bungeana: 10.1055/S-2006-962761
296858 Greenwayodendron oliveri: 10.1021/NP50022A020
1095357 Fumaria agraria: 10.1016/S0305-1978(01)00077-1
332435 Lindera glauca:
367484 Fumaria vaillantii:
2025453 Cardiopetalum calophyllum: 10.1055/S-2006-960213
22694 Papaver orientale: 10.1135/CCCC19911534
1501462 Stephania excentrica:
3463 Corydalis: 10.1007/BF00564963
1891178 Annickia polycarpa: 10.1055/S-0028-1097597
2232080 Aconitum paniculigerum var. wulingense: 10.1007/BF00631022
518845 Croton celtidifolius: 10.1055/S-2006-957745
881603 Ocotea lancifolia: 10.1016/J.FITOTE.2007.03.003
295174 Guatteria megalophylla: 10.1021/NP50019A010
215227 Papaver bracteatum: 10.1135/CCCC19851216
128609 Cryptocarya chinensis: 10.1248/CPB.49.1292
49314 Annona cherimola: 10.1021/NP50037A038
619227 Thalictrum aquilegiifolium: 10.1021/NP50040A036
2025449 Schefferomitra subaequalis: 10.1071/CH9722477
1489764 Pachygone dasycarpa: 10.1021/NP960568E
306945 Annona senegalensis: 10.1007/S10600-013-0683-0
461616 Pachygone ovata: 10.1021/NP50033A010
41776 Nandina domestica: 10.1021/NP8001496
1237573 Erythrina abyssinica: 10.1039/P19730000874
49189 Aconitum sanyoense: 10.1248/CPB.40.2927
2803977 Aniba canelilla: 10.1139/V93-149
56853 Glaucium flavum: 10.1016/S0040-4039(01)97099-6
2072396 Glaucium arabicum: 10.1016/S0040-4039(01)97099-6
88853 Litsea glaucescens: 10.1021/NP010236W
155299 Litsea cubeba:
128648 Nectandra membranacea: 10.3109/13880209309082940
128651 Damburneya salicifolia: 10.3109/13880209309082940
1501471 Stephania officinarum:
1501462 Stephania excentrica:
174969 Uvaria: 10.1016/S0305-1978(97)00101-4
323063 Croton lechleri: 10.1055/S-2006-957745
647292 Erythrina poeppigiana: 10.1039/P19730000874
476039 Thalictrum minus:
1084670 Thalictrum foetidum:
49314 Annona cherimola:
306945 Annona senegalensis:
128613 Dehaasia incrassata: 10.1021/NP960002Q
581246 Corydalis cava: 10.1002/JPS.2600650230
54418 Dicentra peregrina: 10.1201/B16160-69
1053349 Fumaria capreolata:
1464607 Fumaria barnolae: 10.1021/NP50043A036
56853 Glaucium flavum:
2072396 Glaucium arabicum: 10.1016/0031-9422(88)84134-7
1533087 Glaucium corniculatum: 10.1016/S0040-4039(01)97099-6
1464625 Fumaria parviflora:
72189 Stylophorum lasiocarpum: 10.1135/CCCC19911116
1353837 Glaucium fimbrilligerum:
56864 Stylophorum diphyllum: 10.1135/CCCC19840704
185659 Sarcocapnos crassifolia:
38914 Corydalis solida: 10.1135/CCCC19852299
33128 Papaver rhoeas: 10.1135/CCCC19891118
54425 Corydalis intermedia: 10.1135/CCCC19892009
38909 Corydalis nobilis: 10.1135/CCCC19892009
2654223 Lindera sericea: 10.1021/NP50037A045
128640 Lindera umbellata: 10.1021/NP50037A045
1609886 Neolitsea konishii: 10.1002/JCCS.199200031
992813 Xylopia parviflora: 10.1016/J.PHYTOCHEM.2006.07.011
493334 Monodora junodii: 10.1016/J.PHYTOCHEM.2006.07.011
128687 Phoebe formosana:
155299 Litsea cubeba:
2291132 Lindera angustifolia: 10.1016/J.PHYTOCHEM.2003.12.014
344079 Litsea sericea: 10.1016/0731-7085(95)01715-1
1508051 Litsea wightiana: 10.1055/S-2007-969878
46945 Sassafras albidum: 10.1016/S0031-9422(00)97502-2
1365880 Nectandra grandiflora: 10.3109/13880209309082940
796729 Actinodaphne acuminata: 10.1515/ZNB-2009-0717
1345219 Beilschmiedia alloiophylla: 10.1016/J.FITOTE.2011.11.009
128651 Damburneya salicifolia: 10.1021/NP960195H
152367 Stephania cephalantha:
415965 Ocotea glaziovii: 10.1007/978-1-4899-1783-6_3
128648 Nectandra membranacea: 10.1007/978-1-4899-1783-6_3
1112794 Berberis integerrima: 10.1007/BF00631016
323063 Croton lechleri: 10.1021/NP000270V
1433307 Berberis cretica: 10.1021/NP50043A025
152359 Cocculus laurifolius:
1084670 Thalictrum foetidum: 10.1007/BF00579794
453234 Fissistigma oldhamii: 10.1016/J.BMC.2006.10.034
1439896 Berberis nummularia: 10.1007/BF02273928
121073 Cassytha filiformis: 10.1016/S0031-9422(97)00208-2
174962 Uvaria dulcis: 10.1016/S0305-1978(97)00101-4
1317845 Glossocalyx brevipes: 10.1021/NP50041A025
63805 Glossocalyx longicuspis: 10.1021/NP50041A025
128613 Dehaasia incrassata: 10.1016/0040-4020(96)00312-2
395328 Thalictrum alpinum: 10.1021/NP50009A009
1084678 Thalictrum isopyroides: 10.1016/0031-9422(86)80030-9
286046 Aconitum karakolicum:
13441 Cocculus trilobus: 10.1271/BBB1961.32.1187
2294048 Corydalis bulleyana: 10.1055/S-2007-969119
1238147 Corydalis bungeana: 10.1055/S-2006-962761
296858 Greenwayodendron oliveri: 10.1021/NP50022A020
1095357 Fumaria agraria: 10.1016/S0305-1978(01)00077-1
332435 Lindera glauca:
367484 Fumaria vaillantii:
2025453 Cardiopetalum calophyllum: 10.1055/S-2006-960213
22694 Papaver orientale: 10.1135/CCCC19911534
1501462 Stephania excentrica:
3463 Corydalis: 10.1007/BF00564963
1891178 Annickia polycarpa: 10.1055/S-0028-1097597
2232080 Aconitum paniculigerum var. wulingense: 10.1007/BF00631022
518845 Croton celtidifolius: 10.1055/S-2006-957745
881603 Ocotea lancifolia: 10.1016/J.FITOTE.2007.03.003
295174 Guatteria megalophylla: 10.1021/NP50019A010
215227 Papaver bracteatum: 10.1135/CCCC19851216
128609 Cryptocarya chinensis: 10.1248/CPB.49.1292
49314 Annona cherimola: 10.1021/NP50037A038
619227 Thalictrum aquilegiifolium: 10.1021/NP50040A036
2025449 Schefferomitra subaequalis: 10.1071/CH9722477
1489764 Pachygone dasycarpa: 10.1021/NP960568E
306945 Annona senegalensis: 10.1007/S10600-013-0683-0
461616 Pachygone ovata: 10.1021/NP50033A010
41776 Nandina domestica: 10.1021/NP8001496
1237573 Erythrina abyssinica: 10.1039/P19730000874
49189 Aconitum sanyoense: 10.1248/CPB.40.2927
2803977 Aniba canelilla: 10.1139/V93-149

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

Adam Yasgar, Danielle Bougie, Richard T Eastman, Ruili Huang, Misha Itkin, Jennifer Kouznetsova, Caitlin Lynch, Crystal McKnight, Mitch Miller, Deborah K Ngan, Tyler Peryea, Pranav Shah, Paul Shinn, Menghang Xia, Xin Xu, Alexey V Zakharov, Anton Simeonov. Quantitative Bioactivity Signatures of Dietary Supplements and Natural Products. ACS pharmacology & translational science. 2023 May; 6(5):683-701. doi: 10.1021/acsptsci.2c00194. [PMID: 37200814]
Jongmin Ahn, Hee-Sung Chae, Young-Won Chin, Jinwoong Kim. Alkaloids from aerial parts of Houttuynia cordata and their anti-inflammatory activity. Bioorganic & medicinal chemistry letters. 2017 06; 27(12):2807-2811. doi: 10.1016/j.bmcl.2017.04.072. [PMID: 28499733]
Yu Li, Rong-jie Zeng, Jian-zhong Chen, Yan-bin Wu, Gui-xin Chou, Yu Gao, Jing-wei Shao, Hua-zhu Cai, Lee Jia. Pharmacokinetics and metabolism study of isoboldine, a major bioactive component from Radix Linderae in male rats by UPLC-MS/MS. Journal of ethnopharmacology. 2015 Aug; 171(?):154-60. doi: 10.1016/j.jep.2015.05.042. [PMID: 26055342]
Yi-Nan Zhang, Xiang-Gen Zhong, Zong-Ping Zheng, Xu-Dong Hu, Jian-Ping Zuo, Li-Hong Hu. Discovery and synthesis of new immunosuppressive alkaloids from the stem of Fissistigma oldhamii (Hemsl.) Merr. Bioorganic & medicinal chemistry. 2007 Jan; 15(2):988-96. doi: 10.1016/j.bmc.2006.10.034. [PMID: 17081761]
Qi-Zhi Zhao, Yi-Min Zhao, Ke-Jun Wang. [Alkaloids from the root of Lindera angustifolia]. Yao xue xue bao = Acta pharmaceutica Sinica. 2005 Oct; 40(10):931-4. doi: . [PMID: 16408812]
Dennis J Milanowski, Rudolph E K Winter, Memory P F Elvin-Lewis, Walter H Lewis. Geographic distribution of three alkaloid chemotypes of Croton lechleri. Journal of natural products. 2002 Jun; 65(6):814-9. doi: 10.1021/np000270v. [PMID: 12088421]
M Böhlke, H Guinaudeau, C K Angerhofer, V Wongpanich, D D Soejarto, N R Farnsworth, G A Mora, L J Poveda. Costaricine, a new antiplasmodial bisbenzylisoquinoline alkaloid from Nectandra salicifolia trunk bark. Journal of natural products. 1996 Jun; 59(6):576-80. doi: 10.1021/np960195h. [PMID: 8786363]