(S)-N-Methylcoclaurine (BioDeep_00000003731)
Secondary id: BioDeep_00001869403
human metabolite natural product
代谢物信息卡片
化学式: C18H21NO3 (299.1521)
中文名称:
谱图信息:
最多检出来源 Homo sapiens(plant) 16.54%
分子结构信息
SMILES: c1(c(cc2c(c1)[C@@H](N(CC2)C)Cc1ccc(cc1)O)OC)O
InChI: InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1
描述信息
This compound belongs to the family of Benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
同义名列表
9 个代谢物同义名
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2- methyl-7-isoquinolinol; (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; (+)-(S)-N-Methylcoclaurine; (+)-N-Methylcoclaurine; (S)-N-Methylcoclaurine; DL-N-methylcoclaurine; N-Methylcoclaurine; (S)-N-Methylcoclaurine
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:17041
- KEGG: C05176
- PubChem: 2752274
- PubChem: 440584
- HMDB: HMDB0060319
- Metlin: METLIN64368
- ChEMBL: CHEMBL513109
- MetaCyc: S-N-METHYLCOCLAURINE
- KNApSAcK: C00025268
- CAS: 3423-07-2
- PMhub: MS000011176
- PubChem: 7587
- 3DMET: B01819
- NIKKAJI: J351.144H
- KNApSAcK: 17041
- LOTUS: LTS0116001
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)
84 个相关的物种来源信息
- 796729 - Actinodaphne acuminata: 10.1515/ZNB-2009-0717
- 22140 - Annonaceae: LTS0116001
- 12947 - Aristolochia: LTS0116001
- 12948 - Aristolochia gigantea: 10.3390/MOLECULES15129462
- 12948 - Aristolochia gigantea: LTS0116001
- 16727 - Aristolochiaceae: LTS0116001
- 992645 - Artabotrys brachypetalus: 10.1016/S0305-1978(03)00119-4
- 203270 - Berberis aquifolium: 10.1016/J.CHROMA.2015.08.015
- 13601 - Berberis bealei: 10.1016/J.CHROMA.2015.08.015
- 2761039 - Berberis iliensis: 10.1007/BF00631020
- 659594 - Berberis lycium: 10.1007/978-1-4614-0560-3_5
- 1439896 - Berberis nummularia:
- 46963 - Caulophyllum thalictroides: 10.1016/J.JPBA.2011.07.028
- 7711 - Chordata: LTS0116001
- 3452 - Clematis: LTS0116001
- 1857144 - Clematis parviloba: 10.1007/S12272-009-1111-7
- 1857144 - Clematis parviloba: LTS0116001
- 13440 - Cocculus: LTS0116001
- 152359 - Cocculus laurifolius: 10.1248/CPB1953.1.189
- 3442 - Coptis japonica:
- 152372 - Cyclea: 10.1021/NP50101A020
- 152373 - Cyclea barbata: 10.1021/NP50063A032
- 2893873 - Cyclea peltata: 10.1021/NP50063A032
- 128651 - Damburneya salicifolia: 10.1021/NP960195H
- 46246 - Delphinium: LTS0116001
- 1127147 - Delphinium caeruleum: 10.1016/J.PHYTOCHEM.2004.03.017
- 1127184 - Delphinium pentagynum: 10.1016/J.PHYTOCHEM.2004.03.017
- 1127184 - Delphinium pentagynum: LTS0116001
- 48244 - Discaria chacaye:
- 140582 - Discaria toumatou: 10.1021/NP50024A027
- 3039 - Euglena gracilis: 10.3389/FBIOE.2021.662655
- 2759 - Eukaryota: LTS0116001
- 1053349 - Fumaria capreolata: 10.1007/BF00269216
- 56852 - Glaucium: LTS0116001
- 1353837 - Glaucium fimbrilligerum: 10.1007/BF00564415
- 1353837 - Glaucium fimbrilligerum: 10.1007/BF00638780
- 1353837 - Glaucium fimbrilligerum: LTS0116001
- 56853 - Glaucium flavum: 10.1055/S-2006-960827
- 2778768 - Glaucium leiocarpum: 10.1055/S-2006-960827
- 3379 - Gnetaceae: LTS0116001
- 3372 - Gnetopsida: LTS0116001
- 3380 - Gnetum: LTS0116001
- 3381 - Gnetum montanum: 10.1021/NP200700F
- 3381 - Gnetum montanum: LTS0116001
- 295183 - Guatteria punctata: 10.1021/NP50048A018
- 63807 - Gyrocarpus americanus: 10.1021/NP50043A011
- 9606 - Homo sapiens: -
- 86725 - Magnolia biondii: 10.1055/S-2007-969876
- 349509 - Magnolia obovata: 10.1093/CHROMSCI/BMW052
- 3411 - Magnolia salicifolia:
- 3398 - Magnoliopsida: LTS0116001
- 40674 - Mammalia: LTS0116001
- 3455 - Menispermaceae: LTS0116001
- 33208 - Metazoa: LTS0116001
- 10066 - Muridae: LTS0116001
- 10088 - Mus: LTS0116001
- 10090 - Mus musculus: 10.1128/MCB.00232-17
- 10090 - Mus musculus: LTS0116001
- 10090 - Mus musculus: NA
- 881603 - Ocotea lancifolia: 10.1016/J.FITOTE.2007.03.003
- 3465 - Papaveraceae: LTS0116001
- 3440 - Ranunculaceae: LTS0116001
- 56861 - Romneya: LTS0116001
- 56862 - Romneya coulteri: 10.1016/S0031-9422(98)00745-6
- 56862 - Romneya coulteri: LTS0116001
- 147243 - Stephania: LTS0116001
- 152367 - Stephania cephalantha: 10.1248/CPB.45.470
- 1501462 - Stephania excentrica: 10.1021/NP960371M
- 1501462 - Stephania excentrica: LTS0116001
- 152366 - Stephania hernandifolia: 10.1021/NP50064A031
- 461633 - Stephania japonica: 10.1021/NP50064A031
- 1924984 - Stephania pierrei: 10.1021/NP50064A031
- 1924984 - Stephania pierrei: LTS0116001
- 425106 - Stephania tetrandra: 10.1021/NP50064A031
- 35493 - Streptophyta: LTS0116001
- 46970 - Thalictrum dioicum: 10.1016/S0040-4020(01)82640-5
- 46972 - Thalictrum revolutum: 10.1021/NP50008A005
- 58023 - Tracheophyta: LTS0116001
- 33090 - Viridiplantae: LTS0116001
- 225838 - Xylopia: LTS0116001
- 992813 - Xylopia parviflora:
- 992813 - Xylopia parviflora: 10.1016/J.PHYTOCHEM.2003.12.010
- 992813 - Xylopia parviflora: 10.1016/J.PHYTOCHEM.2006.07.011
- 992813 - Xylopia parviflora: LTS0116001
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
- 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]
