(S)-N-Methylcoclaurine (BioDeep_00000003731)

human metabolite Volatile Flavor Compounds natural product

代谢物信息卡片

(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2- methyl-7-isoquinolinol

化学式: C18H21NO3 (299.1521356)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 2.84%

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

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]