Karacoline (BioDeep_00000000520)
Secondary id: BioDeep_00000398724
PANOMIX_OTCML-2023
代谢物信息卡片
化学式: C22H35NO4 (377.2566)
中文名称: 多根乌头碱
谱图信息:
最多检出来源 Chinese Herbal Medicine(otcml) 12.28%
分子结构信息
SMILES: CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O
InChI: InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3
描述信息
Karakoline is an organonitrogen heterocyclic compound that is aconitane bearing hydroxy groups at the 1alpha, 8, and 14alpha positions and substituted at on the nitrogen and at positions 4 and 16beta by ethyl, methyl, and methoxy groups, respectively. It has a role as a phytotoxin. It is a tertiary amino compound, a tertiary alcohol, a secondary alcohol, an alkaloid, an organonitrogen heterocyclic compound and a bridged compound. It derives from a hydride of an aconitane.
Carmicheline is a natural product found in Aconitum karakolicum, Euglena gracilis, and Aconitum carmichaelii with data available.
Origin: Plant; Formula(Parent): C22H35NO4; Bottle Name:Karakoline hydrochloride; PRIME Parent Name:Karakoline; PRIME in-house No.:V0337; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
同义名列表
9 个代谢物同义名
(1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol; Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-; 20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol; Carmichaeline; Carmicheline; Karacoline; Karakoline; (1S,4S,5S,6S,8S,9S,13R,16S)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol; Karakoline
数据库引用编号
21 个数据库交叉引用编号
- ChEBI: CHEBI:6113
- KEGG: C08693
- PubChem: 441742
- PubChem: 11957575
- PubChem: 170157
- Metlin: METLIN67127
- ChEMBL: CHEMBL2112847
- KNApSAcK: C00001649
- CAS: 39089-30-0
- CAS: 1079881-26-7
- MoNA: NGA00660
- MoNA: NGA00659
- MoNA: NGA00658
- MoNA: NGA00657
- MoNA: CB000179
- medchemexpress: HY-N6812
- PMhub: MS000014013
- PubChem: 10886
- 3DMET: B02335
- NIKKAJI: J17.652D
- KNApSAcK: 6113
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)
8 个相关的物种来源信息
- 85363 - Aconitum carmichaelii:
- 1478108 - Aconitum japonicum:
- 286046 - Aconitum karakolicum:
- 239685 - Aconitum kusnezoffii:
- 112591 - Aconitum napellus: 10.1055/S-2006-957859
- 112594 - Aconitum variegatum:
- 1127184 - Delphinium pentagynum: 10.1016/S0031-9422(98)00547-0
- 3039 - Euglena gracilis: 10.3389/FBIOE.2021.662655
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
- Zhi Long Liu, Jie Cao, Hai Min Zhang, Li Li Lin, Hui Juan Liu, Shu Shan Du, Ligang Zhou, Zhi Wei Deng. Feeding deterrents from Aconitum episcopale roots against the red flour beetle, Tribolium castaneum.
Journal of agricultural and food chemistry.
2011 Apr; 59(8):3701-6. doi:
10.1021/jf104879h. [PMID: 21417277] - Jesús G Díaz, Juan García Ruiz, Werner Herz. Alkaloids from Delphinium pentagynum.
Phytochemistry.
2004 Jul; 65(14):2123-7. doi:
10.1016/j.phytochem.2004.03.017. [PMID: 15279983] - N Loreau, C Lepreux, R Ardaillou. Calcitonin-sensitive adenylate cyclase in rat renal tubular membranes.
The Biochemical journal.
1975 Sep; 150(3):305-14. doi:
10.1042/bj1500305. [PMID: 2153]
