Antiarol (BioDeep_00000003899)

natural product PANOMIX_OTCML-2023 Volatile Flavor Compounds

代谢物信息卡片

InChI=1/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H

化学式: C9H12O4 (184.0735552)
中文名称: 3,4,5-三甲氧基苯酚, 3,4,5-三甲氧基苯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 0.87%

分子结构信息

SMILES: c1(c(c(cc(c1)O)OC)OC)OC
InChI: InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3

描述信息

3,4,5-trimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. It has a role as a plant metabolite. It is a member of phenols and a member of methoxybenzenes.
3,4,5-Trimethoxyphenol is a natural product found in Diospyros eriantha, Tarenna attenuata, and other organisms with data available.
A member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5.
Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Cochlospermum vitifolium.
Antiarol (3,4,5-Trimethoxyphenol) is a natural compound isolated from Cochlospermum vitifolium.

同义名列表

39 个代谢物同义名

InChI=1/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H; 3,4,5-trimethoxyphenol;Antiarol; 3,4,5-Trimethoxyphenol, 97\\%; Phenol, 3,4,5-trimethoxy-; TRIMETHOXYPHENOL, 3,4,5-; 3,4,5-trirnethoxyphenol; 3,4,5-TRIMETHOXY PHENOL; 3,4,5-trimethoxy-phenol; 3,4,5-Trimethoxyphenol; 3,4,5-TRIMETHOXYPHENOL; Spectrum3_001208; Spectrum5_000193; Spectrum4_001487; UNII-WXG8D4R582; DivK1c_006719; KBio2_006141; KBio2_001005; KBio2_003573; KBio3_002096; KBio1_001663; WXG8D4R582; AI3-38432; Antiarol; InChI=1\C9H12O4\c1-11-7-4-6(10)5-8(12-2)9(7)13-3\h4-5,10H,1-3H; EINECS 211-387-2; NCGC00095916-01; Spectrum_000525; SpecPlus_000623; SPECTRUM200110; KBioSS_001005; KBioGR_002093; BSPBio_002596; ZINC00405113; CHEBI:2760; ST5407843; 642-71-7; C10765; 3,4,5-Trimethoxyphenol; Antiarol

数据库引用编号

20 个数据库交叉引用编号

ChEBI: CHEBI:2760
KEGG: C10765
PubChem: 69505
Metlin: METLIN68560
ChEMBL: CHEMBL1319047
ChemIDplus: 0000642717
KNApSAcK: C00002637
CAS: 642-71-7
MoNA: MoNA041239
MoNA: VF-NPL-LTQ006860
MoNA: VF-NPL-LTQ006859
medchemexpress: HY-W016289
PMhub: MS000013184
MetaboLights: MTBLC2760
PubChem: 12948
3DMET: B04115
NIKKAJI: J107.381H
KNApSAcK: 2760
LOTUS: LTS0080994
wikidata: Q27105809

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

241857 - Antiaris toxicaria: 10.1002/ARDP.18962340603
1009467 - Diospyros eriantha: 10.1002/JCCS.199400028
2708818 - Drypetes gossweileri: 10.1016/J.PHYTOL.2010.10.007
489335 - Lettowianthus stellatus: 10.1016/S0031-9422(00)00012-1
33090 - Plants: -
1547788 - Tarenna attenuata: 10.1055/S-2007-967165
458696 - Tripterygium wilfordii: 10.1016/J.PHYTOCHEM.2007.02.021
458696 - Tripterygium wilfordii Hook. f.: -
29760 - Vitis vinifera: 10.3389/FMICB.2017.00457
2750454 - 功劳木: -
33090 - 桑白皮: -
458696 - 雷公藤: -

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

Baobin Cai, Bin Wang, Hong Liang, Yuying Zhao. [Chemical constituents from roots of Distylium myricoides]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2009 Sep; 34(18):2331-3. doi: . [PMID: 20030081]
Tsutomu Warashina, Yoshimi Nagatani, Tadataka Noro. Constituents from the bark of Tabebuia impetiginosa. Phytochemistry. 2004 Jul; 65(13):2003-11. doi: 10.1016/j.phytochem.2004.06.012. [PMID: 15280007]