1'-Acetoxychavicol acetate (BioDeep_00000019571)

human metabolite PANOMIX_OTCML-2023 natural product

代谢物信息卡片

(AlphaS)-4-(acetyloxy)-alpha-ethenylbenzenemethanol

化学式: C13H14O4 (234.0892)
中文名称: D,L-1-醋酸乙酰氧基甲壳酚, 1’-乙酰氧基乙酸乙酯，（+/-）
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: c1(ccc(cc1)[C@@H](OC(=O)C)C=C)OC(=O)C
InChI: InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3

描述信息

1-(4-Hydroxyphenyl)-2-propen-1-ol; (±)-form, Di-Ac is found in herbs and spices. 1-(4-Hydroxyphenyl)-2-propen-1-ol; (±)-form, Di-Ac is a constituent of Alpinia galanga (greater galangal).
Constituent of Alpinia galanga (greater galangal). 1S-Acetoxychavicol acetate is found in herbs and spices.
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics

同义名列表

14 个代谢物同义名

(AlphaS)-4-(acetyloxy)-alpha-ethenylbenzenemethanol; (1S)-1-[4-(Acetyloxy)phenyl]prop-2-en-1-yl acetate; 1-[4-(Acetyloxy)phenyl]prop-2-en-1-yl acetic acid; 1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate; 1-Acetoxychavicol acetate, (+/-)-; 1s-Acetoxychavicol acetic acid; D,L-1-Acetoxychavicol acetate; 1-Acetoxychavicol acetic acid; 1S-1-Acetoxychavicol acetate; 1S-Acetoxychavicol acetate; 1-Acetoxychavicol acetate; Galangal acetate; 1'-Acetoxychavicol acetate; 1'-Acetoxychavicol acetate, (+/-)-

数据库引用编号

19 个数据库交叉引用编号

ChEBI: CHEBI:469
KEGG: C10426
PubChem: 400072
HMDB: HMDB0041005
ChEMBL: CHEMBL359887
KNApSAcK: C00002711
KNApSAcK: C00031531
foodb: FDB020865
chemspider: 354584
CAS: 53890-21-4
CAS: 52946-22-2
PMhub: MS000021631
PubChem: 12611
3DMET: B03834
NIKKAJI: J553.238H
KNApSAcK: 469
LOTUS: LTS0185726
wikidata: Q27266132
LOTUS: LTS0153905

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)

30 个相关的物种来源信息

94326 - Alpinia: LTS0153905
105671 - Alpinia conchigera: 10.1080/10412905.1995.9698499
105671 - Alpinia conchigera: 10.3390/MOLECULES15118048
105671 - Alpinia conchigera: LTS0153905
94327 - Alpinia galanga:
94327 - Alpinia galanga: 10.1016/S0014-2999(03)01785-0
94327 - Alpinia galanga: 10.1016/S0960-894X(03)00710-8
94327 - Alpinia galanga: 10.1248/CPB.36.244
94327 - Alpinia galanga: 10.1248/CPB.53.625
94327 - Alpinia galanga: 10.1271/BBB.57.1344
94327 - Alpinia galanga: 10.1371/JOURNAL.PONE.0056447
94327 - Alpinia galanga: LTS0153905
199623 - Alpinia officinarum: 10.1055/S-2007-969577
7458 - Apidae: LTS0153905
7459 - Apis: LTS0153905
7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
7461 - Apis cerana: LTS0153905
6656 - Arthropoda: LTS0153905
2759 - Eukaryota: LTS0153905
9606 - Homo sapiens: -
50557 - Insecta: LTS0153905
97750 - Kaempferia galanga: 10.1055/S-2007-969577
4447 - Liliopsida: LTS0153905
3398 - Magnoliopsida: LTS0153905
33208 - Metazoa: LTS0153905
35493 - Streptophyta: LTS0153905
58023 - Tracheophyta: LTS0153905
33090 - Viridiplantae: LTS0153905
94328 - Zingiber officinale: 10.1055/S-2007-969577
4642 - Zingiberaceae: LTS0153905

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

Maoxuan Liu, Cedrick Veryser, Jing-Guang Lu, Tom Wenseleers, Wim M De Borggraeve, Zhi-Hong Jiang, Walter Luyten. Bioassay-guided isolation of active substances from Semen Torreyae identifies two new anthelmintic compounds with novel mechanism of action. Journal of ethnopharmacology. 2018 Oct; 224(?):421-428. doi: 10.1016/j.jep.2018.06.026. [PMID: 29933012]
Ahmad Nazif Aziz, Halijah Ibrahim, Devi Rosmy Syamsir, Mastura Mohtar, Jaya Vejayan, Khalijah Awang. Antimicrobial compounds from Alpinia conchigera. Journal of ethnopharmacology. 2013 Feb; 145(3):798-802. doi: 10.1016/j.jep.2012.12.024. [PMID: 23266278]