2-Acetonaphthone (BioDeep_00000409809)

Secondary id: BioDeep_00000019024, BioDeep_00000617665

PANOMIX_OTCML-2023 natural product PANOMIX_OTCML-2025

代谢物信息卡片

1-naphthalen-2-ylethanone

化学式: C12H10O (170.0732)
中文名称: 2-萘乙酮
谱图信息: 最多检出来源 Arabidopsis thaliana(otcml) 61.14%

Reviewed

Last reviewed on 2025-05-08.

Cite this Page

2-Acetonaphthone. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/2-acetonaphthone (retrieved 2025-08-26) (BioDeep RN: BioDeep_00000409809). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

分子结构信息

SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1
InChI: InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3

3D Structure

描述信息

2-acetylnaphthalene is a naphthyl ketone that is naphthalene substituted at position 2 by an acetyl group.

CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4862; ORIGINAL_PRECURSOR_SCAN_NO 4859
CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4890; ORIGINAL_PRECURSOR_SCAN_NO 4887
CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4839; ORIGINAL_PRECURSOR_SCAN_NO 4835
CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4872; ORIGINAL_PRECURSOR_SCAN_NO 4871
CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4893; ORIGINAL_PRECURSOR_SCAN_NO 4890
CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4877
CONFIDENCE standard compound; INTERNAL_ID 2446
2-Acetonaphthone is an endogenous metabolite.

同义名列表

77 个代谢物同义名

2-Acetylnaphthalene; 2-Acetonaphthone; WLN: L66J CV1; .beta.-Acetonaphthalene; .beta.-Acetonaphthone; .beta.-Acetylnaphthalene; .beta.-Methyl naphthyl ketone; .beta.-Naphthyl methyl ketone; 1-(2-naphthalenyl)-ethanone; 1-(2-NAPHTHALENYL)ETHANONE; 1-(2-Naphthyl)ethanone; 1-(2-Naphthyl)ethanone #; 1-(naphthalen-2-yl)ethan-1-one; 1-(naphthalen-2-yl)ethanone; 1-(naphthalen-3-yl)ethanone; 1-(naphthalenyl)-ethanone; 1-(Naphthyl)ethan-1-one; 1-naphthalen-2-yl-ethanone; 1-naphthalen-2-ylethanone; 2-Acetonaphthalene;2-Naphthyl methyl ketone; 2-ACETONAPHTHONE [INCI]; 2-Acetonaphthone, 99%; 2-ACETYL NAPHTHALENE; 2-acetyl napthalene; 2-acetyl-naphthalene; 2-acetylnaphthlene; 2-Naphthyl methyl ketone; 2'-Acetonaphthone; 2'acetonaphthone; 21D49LOP2T; 2acetonaphthone; 2Naphthyl methyl ketone; 4-07-00-01294 (Beilstein Handbook Reference); Acetonaphthone; ACETYLNAPHTHALENE (MIXED ISOMERS); AI3-00642; beta -acetonaphthalene; beta -acetonaphthone; beta -acetylnaphthalene; beta -methyl naphthyl ketone; beta -naphthyl methyl ketone; beta-Acetonaphthalene; beta-Acetonaphthone; beta-Acetylnaphthalene; beta-Methyl naphthyl ketone; beta-Naphthyl methyl ketone; BETA.-ACETYLNAPHTHALENE; BETA.-NAPHTHYL METHYL KETONE; betaAcetonaphthalene; betaAcetylnaphthalene; betaNaphthyl methyl ketone; CAS-93-08-3; Cetone D; Ethanone, 1-(2-naphthalenyl)-; Ethanone, 1(2naphthalenyl); HGY15VJE1U; Ketone, methyl 2-naphthyl; Ketone, methyl 2naphthyl; Methyl .beta.-naphthyl ketone; METHYL .BETA.-NAPHTHYL KETONE [FHFI]; Methyl 2-naphthyl ketone; Methyl 2-naphthyl ketone 2-Acetylnaphthalene; methyl 2-naphthyl ketone;1-(2-Naphthyl)ethan-1-one;; Methyl 2naphthyl ketone; methyl b-naphthyl ketone; Methyl beta -naphthyl ketone; Methyl beta-naphthyl ketone; METHYL BETA-NAPHTHYL KETONE [FCC]; Methyl beta-naphthyl ketone, >=99%, FCC, FG; Methyl beta-naphthylketone; methyl betanaphthyl ketone; methyl naphthyl ketone; Oranger crystals; Oranger cyrstals; Tox21_302186; UNII-21D49LOP2T; UNII-HGY15VJE1U

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:52364
PubChem: 7122
ChEMBL: CHEMBL3183700
CAS: 1333-52-4
CAS: 93-08-3
MoNA: LU124356
MoNA: LU124355
MoNA: LU124354
MoNA: LU124353
MoNA: LU124352
MoNA: LU124351
MoNA: AU244606
medchemexpress: HY-Y1819
LOTUS: LTS0259932
MeSH: 2-acetylnaphthalene

分类词条

代谢反应

个相关的代谢反应过程信息。

Reactome()

BioCyc()

WikiPathways()

Plant Reactome()

INOH()

PlantCyc()

COVID-19 Disease Map()

PathBank()

PharmGKB()

11 个相关的物种来源信息

42228 - Acoraceae: LTS0259932
4464 - Acorus: LTS0259932
4465 - Acorus calamus: LTS0259932
325552 - Acorus calamus var. angustatus: 10.1055/S-0035-1545694
325552 - Acorus calamus var. angustatus: LTS0259932
2759 - Eukaryota: LTS0259932
4447 - Liliopsida: LTS0259932
3398 - Magnoliopsida: LTS0259932
35493 - Streptophyta: LTS0259932
58023 - Tracheophyta: LTS0259932
33090 - Viridiplantae: LTS0259932

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。

亚细胞结构定位		关联基因列表

文献列表

Sanaa A Ibrahim, Gregg Henderson, Aabdelrahman M Younis, Roger A Laine. Toxicity and inhibition of feeding and tunneling response of naphthalene and 10 derivatives on the formosan subterranean termite (Isoptera: Rhinotermitidae). Journal of economic entomology. 2010 Dec; 103(6):2132-9. doi: 10.1603/ec10062. [PMID: 21309236]
Sanaa A Ibrahim, Gregg Henderson, Huixin Fei, Roger A Laine. Survivorship, tunneling and feeding behaviors of Coptotermes formosanus (Isoptera: Rhinotermitidae) in response to 2'-acetonaphthone-treated sand. Pest management science. 2004 Aug; 60(8):746-54. doi: 10.1002/ps.852. [PMID: 15307666]