Tomentin (BioDeep_00000005576)

PANOMIX_OTCML-2023 natural product

代谢物信息卡片

2- (3,4-Dihydroxyphenyl) -5,6-dihydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one

化学式: C17H14O8 (346.0688644)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 0.15%

分子结构信息

SMILES: c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)O)O)O)OC
InChI: InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)13(11)20)15(22)17(24-2)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3

描述信息

同义名列表

6 个代谢物同义名

5,6,3,4-Tetrahydroxy-3,7-dimethoxyflavone; 3,7-Dimethylquercetagetin; Tomentin; 2- (3,4-Dihydroxyphenyl) -5,6-dihydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one; 3,4,5,6-Tetrahydroxy-3,7-dimethoxyflavone

数据库引用编号

16 个数据库交叉引用编号

ChEBI: CHEBI:27767
KEGG: C04581
PubChem: 148856
Metlin: METLIN51403
ChEMBL: CHEMBL485677
LipidMAPS: LMPK12112991
MetaCyc: CPD-10527
KNApSAcK: C00004685
CAS: 59171-23-2
PMhub: MS000018409
Flavonoid: FL5FECNS0010
PubChem: 7182
3DMET: B00734
NIKKAJI: J638.463C
RefMet: Tomentin
LOTUS: LTS0028795

分类词条

代谢反应

4 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(2)

polymethylated quercetin glucoside biosynthesis II - quercetagetin series (Chrysosplenium): 3,6,7-trimethylquercetagetin + SAM ⟶ 3,6,7,4'-tetramethylquercetagetin + H⁺ + SAH
superpathway of polymethylated quercetin/quercetagetin glucoside biosynthesis (Chrysosplenium): 3,6,7-trimethylquercetagetin + SAM ⟶ 3,6,7,4'-tetramethylquercetagetin + H⁺ + SAH

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(2)

polymethylated quercetin glucoside biosynthesis II - quercetagetin series (Chrysosplenium): 3,6,7-trimethylquercetagetin + SAM ⟶ 3,6,7,4'-tetramethylquercetagetin + H⁺ + SAH
superpathway of polymethylated quercetin/quercetagetin glucoside biosynthesis (Chrysosplenium): 3,6,7-trimethylquercetagetin + SAM ⟶ 3,6,7,4'-tetramethylquercetagetin + H⁺ + SAH

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

50 个相关的物种来源信息

4219 - Artemisia: LTS0028795
86306 - Artemisia abrotanum: 10.1055/S-2006-958106
86306 - Artemisia abrotanum: LTS0028795
35608 - Artemisia annua:
35608 - Artemisia annua: 10.1016/0031-9422(94)00591-G
35608 - Artemisia annua: LTS0028795
4210 - Asteraceae: LTS0028795
4381 - Campanulaceae: LTS0028795
40784 - Chrysosplenium tetrandrum: 10.1016/S0031-9422(00)88961-X
648857 - Dichrocephala: LTS0028795
1573921 - Dichrocephala integrifolia: 10.1016/J.TET.2006.03.091
1573921 - Dichrocephala integrifolia: LTS0028795
2759 - Eukaryota: LTS0028795
3977 - Euphorbiaceae: LTS0028795
4027 - Geraniaceae: LTS0028795
149429 - Holocarpha: LTS0028795
425879 - Holocarpha heermannii: 10.1016/0305-1978(94)90092-2
425879 - Holocarpha heermannii: LTS0028795
149430 - Holocarpha virgata: 10.1016/0305-1978(94)90092-2
149430 - Holocarpha virgata: LTS0028795
204123 - Hyptis brevipes: 10.1021/ACS.JNATPROD.2C00146
4382 - Lobelia: LTS0028795
368926 - Lobelia chinensis: LTS0028795
368926 - Lobelia chinensis: NA
3398 - Magnoliopsida: LTS0028795
183055 - Neurolaena: LTS0028795
183056 - Neurolaena lobata: 10.1016/0031-9422(81)85176-X
183056 - Neurolaena lobata: LTS0028795
35934 - Parthenium: LTS0028795
183063 - Parthenium hysterophorus:
183063 - Parthenium hysterophorus: 10.1016/S0031-9422(03)00147-X
183063 - Parthenium hysterophorus: LTS0028795
4030 - Pelargonium: LTS0028795
59871 - Pelargonium reniforme: 10.1515/ZNC-2000-7-809
59871 - Pelargonium reniforme: LTS0028795
81513 - Pterocaulon: LTS0028795
1548651 - Pterocaulon redolens: 10.3987/COM-03-S16
1548651 - Pterocaulon redolens: LTS0028795
56534 - Pulicaria: LTS0028795
119185 - Pulicaria arabica: 10.1016/0031-9422(82)80105-2
119185 - Pulicaria arabica: LTS0028795
35493 - Streptophyta: LTS0028795
99105 - Tanacetum: LTS0028795
127999 - Tanacetum parthenium: 10.1016/0031-9422(94)00609-W
127999 - Tanacetum parthenium: LTS0028795
58023 - Tracheophyta: LTS0028795
289660 - Trigonostemon: LTS0028795
2606832 - Trigonostemon reidioides: 10.1002/CHIN.200612184
2606832 - Trigonostemon reidioides: LTS0028795
33090 - Viridiplantae: LTS0028795

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

Tanja Hell, Adriano Rutz, Lara Dürr, Maciej Dobrzyński, Jakob K Reinhardt, Timo Lehner, Morris Keller, Anika John, Mahabir Gupta, Olivier Pertz, Matthias Hamburger, Jean-Luc Wolfender, Eliane Garo. Combining Activity Profiling with Advanced Annotation to Accelerate the Discovery of Natural Products Targeting Oncogenic Signaling in Melanoma. Journal of natural products. 2022 06; 85(6):1540-1554. doi: 10.1021/acs.jnatprod.2c00146. [PMID: 35640148]
Jian-Xin Chen, Shen-Hui Huang, Ying Wang, Meng Shao, Wen-Cai Ye. [Studies on the chemical constituents from Lobelia chinensis]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2010 Nov; 33(11):1721-4. doi: ". [PMID: 21434431]
Atchara Tempeam, Nopporn Thasana, Chitkavee Pavaro, Wongsatit Chuakul, Pongpun Siripong, Somsak Ruchirawat. A new cytotoxic daphnane diterpenoid, rediocide G, from Trigonostemon reidioides. Chemical & pharmaceutical bulletin. 2005 Oct; 53(10):1321-3. doi: 10.1248/cpb.53.1321. [PMID: 16204992]