Chanoclavine (BioDeep_00000003921)

代谢物信息卡片

2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-

化学式: C16H20N2O (256.157555)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 2.47%

分子结构信息

SMILES: C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO
InChI: InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1

描述信息

CONFIDENCE Claviceps purpurea sclerotia

同义名列表

11 个代谢物同义名

Chanoclavine; 2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-; Chanoclavine-I; Isochanoclavin; Chanoclavin-I; 11012-16-1; 1349-51-5; 2390-99-0; 479-04-9; C09131; 2-Methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:3576
KEGG: C09131
PubChem: 5281381
PubChem: 603379
Metlin: METLIN67453
KNApSAcK: C00001707
CAS: 2390-99-0
MoNA: AC000326
MoNA: AC000325
MoNA: AC000324
MoNA: AC000323
PMhub: MS000013624
PubChem: 11323
3DMET: B02706
NIKKAJI: J10.335G

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)

53 个相关的物种来源信息

33090 牵牛子: -
2613367 Ipomoea campanulata: 10.1055/S-0028-1097212
746128 Aspergillus fumigatus: 10.1007/S00203-009-0536-1
5111 Claviceps purpurea: 10.1128/AEM.00737-09
5110 Claviceps:
398502 Ipomoea violacea:
231710 Ipomoea muricata: 10.1086/337697
2490667 Ipomoea capillacea: 10.1086/337697
89664 Ipomoea tricolor:
112277 Jacquemontia tamnifolia: 10.1086/337697
89647 Ipomoea lacunosa: 10.4141/CJPS86-048
43178 Ipomoea hederacea: 10.4141/CJPS86-048
35883 Ipomoea nil: 10.4141/CJPS86-048
4121 Ipomoea purpurea: 10.4141/CJPS86-048
51584 Balansia epichloe: 10.1021/NP50003A015
57967 Balansia claviceps: 10.1021/NP50003A015
2607118 Ipomoea corymbosa: 10.1021/NP070040H
89639 Ipomoea asarifolia: 10.1021/NP070040H
5113 Epichloe typhina:
45230 Balansia henningsiana: 10.1021/JF00105A055
40601 Claviceps paspali:
2607097 Ipomoea acanthocarpa: 10.1021/NP50111A022
5111 Claviceps purpurea:
89175 Claviceps gigantea:
40602 Claviceps fusiformis:
83212 Claviceps africana:
746128 Aspergillus fumigatus: 10.1007/S00203-009-0536-1
2613367 Ipomoea campanulata: 10.1055/S-0028-1097212
746128 Aspergillus fumigatus: 10.1007/S00203-009-0536-1
5111 Claviceps purpurea: 10.1128/AEM.00737-09
5110 Claviceps:
398502 Ipomoea violacea:
231710 Ipomoea muricata: 10.1086/337697
2490667 Ipomoea capillacea: 10.1086/337697
89664 Ipomoea tricolor:
112277 Jacquemontia tamnifolia: 10.1086/337697
89647 Ipomoea lacunosa: 10.4141/CJPS86-048
43178 Ipomoea hederacea: 10.4141/CJPS86-048
35883 Ipomoea nil: 10.4141/CJPS86-048
4121 Ipomoea purpurea: 10.4141/CJPS86-048
51584 Balansia epichloe: 10.1021/NP50003A015
57967 Balansia claviceps: 10.1021/NP50003A015
2607118 Ipomoea corymbosa: 10.1021/NP070040H
89639 Ipomoea asarifolia: 10.1021/NP070040H
5113 Epichloe typhina:
45230 Balansia henningsiana: 10.1021/JF00105A055
40601 Claviceps paspali:
2607097 Ipomoea acanthocarpa: 10.1021/NP50111A022
5111 Claviceps purpurea:
89175 Claviceps gigantea:
40602 Claviceps fusiformis:
83212 Claviceps africana:
746128 Aspergillus fumigatus: 10.1007/S00203-009-0536-1

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

R Bharadwaj, H Jagadeesan, S R Kumar, S Ramalingam. Molecular mechanisms in grass-Epichloë interactions: towards endophyte driven farming to improve plant fitness and immunity. World journal of microbiology & biotechnology. 2020 Jun; 36(7):92. doi: 10.1007/s11274-020-02868-5. [PMID: 32562008]
Sarah C Finch, John S Munday, Jan M Sprosen, Sweta Bhattarai. Toxicity Studies of Chanoclavine in Mice. Toxins. 2019 05; 11(5):. doi: 10.3390/toxins11050249. [PMID: 31052510]
Samantha J Fabian, Matthew D Maust, Daniel G Panaccione. Ergot Alkaloid Synthesis Capacity of Penicillium camemberti. Applied and environmental microbiology. 2018 10; 84(19):. doi: 10.1128/aem.01583-18. [PMID: 30076193]
Sarah L Robinson, Daniel G Panaccione. Chemotypic and genotypic diversity in the ergot alkaloid pathway of Aspergillus fumigatus. Mycologia. 2012 Jul; 104(4):804-12. doi: 10.3852/11-310. [PMID: 22453123]
Kerry E Goetz, Christine M Coyle, Johnathan Z Cheng, Sarah E O'Connor, Daniel G Panaccione. Ergot cluster-encoded catalase is required for synthesis of chanoclavine-I in Aspergillus fumigatus. Current genetics. 2011 Jun; 57(3):201-11. doi: 10.1007/s00294-011-0336-4. [PMID: 21409592]