Neophytadiene (BioDeep_00000301555)

PANOMIX_OTCML-2023 Volatile Flavor Compounds

代谢物信息卡片

2-(4,8,12-TRIMETHYLTRIDECYL)BUTA-1,3-DIENE [HSDB]

化学式: C20H38 (278.2973348)
中文名称: 新植二烯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 0.79%

分子结构信息

SMILES: C=CC(=C)CCCC(C)CCCC(C)CCCC(C)C
InChI: InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3

描述信息

Neophytadiene is a diterpene that is 3-methylidenehexadec-1-ene substituted at positions 7, 11 and 15 by a methyl group. It has a role as an anti-inflammatory agent, an antimicrobial agent, a plant metabolite and an algal metabolite. It is an alkene and a diterpene.
Neophytadiene is a natural product found in Tagetes lucida, Senecio doria, and other organisms with data available.
A diterpene that is 3-methylidenehexadec-1-ene substituted at positions 7, 11 and 15 by a methyl group.
Neophytadiene is a diterpene found in Turbinaria ornate, with anti-inflammatory antioxidant and cardioprotective properties[1].
Neophytadiene is a diterpene found in Turbinaria ornate, with anti-inflammatory antioxidant and cardioprotective properties[1].

同义名列表

18 个代谢物同义名

2-(4,8,12-TRIMETHYLTRIDECYL)BUTA-1,3-DIENE [HSDB]; 7,11,15-trimethyl-3-methylidene-hexadec-1-ene; 7,11,15-trimethyl-3-methylidenehexadec-1-ene; 1-Hexadecene, 7,11,15-trimethyl-3-methylene-; 1,3-Butadiene, 2-(4,8,12-trimethyltridecyl)-; 3-METHYLENE-7,11,15-TRIMETHYL-1-HEXADECENE; 2-(4,8,12-Trimethyltridecyl)buta-1,3-diene; 7,11,15-Trimethyl-3-methylenehexadec-1-ene; 7,11,15-Trimethyl-3-methylene-1-hexadecene; 3-Methylene-7,11,15-trimethylhexadec-1-ene; 2-(4,8,12-Trimethyltridecyl)-1,3-butadiene; NIDGCIPAMWNKOA-UHFFFAOYSA-N; Neophytadiene (80per cent); Neophytadiene (80\\%); UNII-HL3QFB56FB; Neophytadiene; HL3QFB56FB; Neophytadiene

数据库引用编号

8 个数据库交叉引用编号

ChEBI: CHEBI:145817
PubChem: 10446
ChemIDplus: 0000504961
KNApSAcK: C00022075
CAS: 504-96-1
medchemexpress: HY-N8534
PMhub: MS000065132
MetaboLights: MTBLC145817

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)

12 个相关的物种来源信息

4681 - Allium ampeloprasum: 10.1080/10412905.1991.9697935
40922 - Anethum graveolens: 10.1080/10412905.1991.9697936
41492 - Bellis perennis: 10.1016/0031-9422(95)00183-8
260595 - Cedronella canariensis: 10.1016/0031-9422(95)00241-X
462400 - Culcitium canescens: 10.1016/S0031-9422(00)97558-7
48119 - Glehnia littoralis: 10.1021/JF010219C
1604314 - Gynura japonica: 10.1016/J.JEP.2010.12.007
210888 - Gynura segetum: 10.1016/J.JEP.2010.12.007
33090 - Plants: -
28511 - Pogostemon cablin (Blanco) Benth.: -
189237 - Senecio doria: 10.1016/0031-9422(91)85072-8
169606 - Tagetes lucida: 10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7

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 E Carretero, J L López-Pérez, M J Abad, P Bermejo, S Tillet, A Israel, B Noguera-P. Preliminary study of the anti-inflammatory activity of hexane extract and fractions from Bursera simaruba (Linneo) Sarg. (Burseraceae) leaves. Journal of ethnopharmacology. 2008 Feb; 116(1):11-5. doi: 10.1016/j.jep.2007.10.034. [PMID: 18155865]