Perakine (BioDeep_00000013136)

PANOMIX_OTCML-2023

代谢物信息卡片

[(1R,10S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate

化学式: C21H22N2O3 (350.16303419999997)
中文名称: 霹雳萝芙木碱
谱图信息: 最多检出来源 Viridiplantae(plant) 0.12%

分子结构信息

SMILES: CC(=O)OC1C2C3CC4C5=Nc6ccccc6C51CC2N4C(C)C3C=O
InChI: InChI=1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12-,13-,16-,17-,18?,20+,21+/m0/s1

描述信息

An indole alkaloid having a ajmalan-type skeleton and characterised by a 17alpha-acetoxy group, a 21beta-methyl group, loss of the 1-methyl group with associated unsaturation at N(1)=C(2), and a 20alpha-formyl group in place of the 20beta-ethyl side-chain.
Raucaffrine is a natural product found in Rauvolfia serpentina and Rauvolfia sprucei with data available.
Perakine?is an indole alkaloid with anti-inflammatory activities[1].

同义名列表

6 个代谢物同义名

Perakine; [(1R,10S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate; 18-Norajmalan-19-al, 17-(acetyloxy)-1,2-didehydro-1-demethyl-21-methyl-, (17R,20alpha,21beta)-; 18-Norajmalan-19-al, 17-(acetyloxy)-1,2-didehydro-1-demethyl-21-methyl-, (17R,20a,21b)-; [formyl(methyl)[?]yl] acetate; Raucaffrine

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:63168
KEGG: C19932
PubChem: 56927765
PubChem: 453213
PubChem: 13579075
Metlin: METLIN73436
Wikipedia: Perakine
ChemIDplus: 0004382563
MetaCyc: CPDMETA-13651
KNApSAcK: C00024279
CAS: 4382-56-3
medchemexpress: HY-N2030
PMhub: MS000027536
MetaboLights: MTBLC63168
PubChem: 135626398

分类词条

代谢反应

3 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(3)

ajmaline and sarpagine biosynthesis: 3-α(S)-strictosidine + H₂O ⟶ D-glucopyranose + strictosidine aglycone
ajmaline and sarpagine biosynthesis: 3-α(S)-strictosidine + H₂O ⟶ D-glucopyranose + strictosidine aglycone
ajmaline and sarpagine biosynthesis: H₂O + polyneuridine aldehyde ⟶ 16-epivellosimine + CO₂ + MeOH

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

13 个相关的物种来源信息

33090 - Plants: -
141607 - Rauvolfia balansae: 10.1021/NP50047A011
947877 - Rauvolfia caffra: 10.1021/NP50047A011
2508340 - Rauvolfia perakensis: 10.1021/NP50047A011
403114 - Rauvolfia sellowii: 10.1021/NP50047A011
4060 - Rauvolfia serpentina:
4060 - Rauvolfia serpentina: 10.1021/NP50047A011
947903 - Rauvolfia sprucei: 10.1021/NP50047A011
947903 - Rauvolfia sprucei: 10.1111/J.2042-7158.1957.TB12270.X
478094 - Rauvolfia sumatrana: 10.1021/NP50047A011
329875 - Rauvolfia verticillata: 10.1021/NP50047A011
947905 - Rauvolfia volkensii: 10.1021/NP50047A011
403115 - Rauvolfia vomitoria: 10.1021/NP50047A011

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

G T Tan, J M Pezzuto, A D Kinghorn, S H Hughes. Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase. Journal of natural products. 1991 Jan; 54(1):143-54. doi: 10.1021/np50073a012. [PMID: 1710653]