3,7-Dimethylquercetin (BioDeep_00000000851)
Secondary id: BioDeep_00000270695, BioDeep_00000867855
human metabolite PANOMIX_OTCML-2023 Endogenous
代谢物信息卡片
化学式: C17H14O7 (330.0739)
中文名称: 3,7-二甲基槲皮素
谱图信息:
最多检出来源 Viridiplantae(plant) 25.59%
分子结构信息
SMILES: c1(cc(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)O)O)OC
InChI: InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
描述信息
3,4,5-trihydroxy-3,7-dimethoxyflavone is a dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin. It has a role as an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and a metabolite. It is a trihydroxyflavone and a dimethoxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a 3,4,5-trihydroxy-3,7-dimethoxyflavone(1-).
3,7-Di-O-methylquercetin is a natural product found in Wollastonia biflora, Psiadia viscosa, and other organisms with data available.
3,7-Dimethylquercetin is found in beer. 3,7-Dimethylquercetin is isolated from various plants including many Asteraceae [CCD
Isolated from various plants including many Asteraceae [CCD]. 3,7-Dimethylquercetin is found in beer and grape wine.
A dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin.
同义名列表
24 个代谢物同义名
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one #; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-benzopyrone; 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one; Flavone, 3,4,5-trihydroxy-3,7-dimethoxy-; 3,7-dimethoxy-5,3,4-trihydroxyflavone; 3,4,5-Trihydroxy-3,7-dimethoxyflavone; 5,3,4-Trihydroxy-3,7-dimethoxyflavone; 3,4,5-trihydroxy-3,7-dimethoxyflavone; Quercetin 3,7-di-O-methyl ether; Quercetin 3,7-dimethyl ether; Quercetin-3,7-dimethylether; LUJAXSNNYBCFEE-UHFFFAOYSA-N; FENOFIBRICACIDETHYLESTER; 3,7-Di-O-methylquercetin; 3,7-O-dimethylquercetin; 3,7-Dimethylquercetin; UNII-V8R92XSR1M; V8R92XSR1M; DTHF; 3,7-Di-O-methylquercetin
数据库引用编号
23 个数据库交叉引用编号
- ChEBI: CHEBI:18010
- KEGG: C01265
- PubChem: 5280417
- HMDB: HMDB0029263
- Metlin: METLIN51145
- ChEMBL: CHEMBL164861
- LipidMAPS: LMPK12112731
- MeSH: 3,7-dimethoxy-5,3,4-trihydroxyflavone
- ChemIDplus: 0002068022
- MetaCyc: 345-TRIHYDROXY-37-DIMETHOXYFLAVONE
- KNApSAcK: C00004638
- foodb: FDB000176
- chemspider: 4444090
- CAS: 2068-02-2
- medchemexpress: HY-N1798
- PMhub: MS000017179
- MetaboLights: MTBLC18010
- PubChem: 4484
- 3DMET: B00268
- NIKKAJI: J885K
- KNApSAcK: 18010
- LOTUS: LTS0093982
- wikidata: Q27102757
分类词条
相关代谢途径
Reactome(0)
BioCyc(4)
- polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium)
- polymethylated quercetin glucoside biosynthesis II - quercetagetin series (Chrysosplenium)
- superpathway of polymethylated quercetin/quercetagetin glucoside biosynthesis (Chrysosplenium)
- polymethylated quercetin biosynthesis
PlantCyc(4)
- polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium)
- polymethylated quercetin glucoside biosynthesis II - quercetagetin series (Chrysosplenium)
- superpathway of polymethylated quercetin/quercetagetin glucoside biosynthesis (Chrysosplenium)
- polymethylated quercetin biosynthesis
代谢反应
26 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(4)
- 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 - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
2-oxoglutarate + 3,7,4'-trimethylquercetin + O2 ⟶ 3,7,4'-trimethylquercetagetin + CO2 + succinate - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(22)
- 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 - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
3,7,4'-trimethylquercetin + H+ + NADPH + O2 ⟶ 2'-hydroxy 3,7,4'-trimethylquercetin + H2O + NADP+ - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
3,7,4'-trimethylquercetin + H+ + NADPH + O2 ⟶ 2'-hydroxy 3,7,4'-trimethylquercetin + H2O + NADP+ - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
3,7,4'-trimethylquercetin + H+ + NADPH + O2 ⟶ 2'-hydroxy 3,7,4'-trimethylquercetin + H2O + NADP+ - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
2'-hydroxy 3,7,4'-trimethylquercetin + SAM ⟶ 2'-hydroxy 3,7,3',4'-tetramethylquercetin + H+ + SAH - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
3,7,4'-trimethylquercetin + H+ + NADPH + O2 ⟶ 2'-hydroxy 3,7,4'-trimethylquercetin + H2O + NADP+ - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
2'-hydroxy 3,7,4'-trimethylquercetin + SAM ⟶ 2'-hydroxy 3,7,3',4'-tetramethylquercetin + H+ + SAH - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
2'-hydroxy 3,7,4'-trimethylquercetin + UDP-α-D-glucose ⟶ 3,7,4'-trimethylquercetin 2'-O-β-D-glucoside + H+ + UDP - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
2'-hydroxy 3,7,4'-trimethylquercetin + SAM ⟶ 2'-hydroxy 3,7,3',4'-tetramethylquercetin + H+ + SAH - polymethylated quercetin glucoside biosynthesis I - quercetin series (Chrysosplenium):
2'-hydroxy 3,7,4'-trimethylquercetin + SAM ⟶ 2'-hydroxy 3,7,3',4'-tetramethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + quercetin ⟶ H+ + SAH + isorhamnetin - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH - polymethylated quercetin biosynthesis:
SAM + rhamnetin ⟶ 7,3'-dimethylquercetin + H+ + SAH
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
24 个相关的物种来源信息
- 4219 - Artemisia: 10.1016/S0305-1978(02)00178-3
- 72348 - Artemisia monosperma: 10.1016/0031-9422(90)85231-4
- 483143 - Biancaea sappan: 10.1021/NP3003673
- 313920 - Blumea balsamifera: 10.1021/NP049622E
- 86658 - Calceolaria: 10.1016/S0031-9422(00)97950-0
- 72914 - Chrysothamnus viscidiflorus: 10.1016/S0031-9422(99)00110-7
- 323080 - Croton schiedeanus:
- 35874 - Dioscorea bulbifera: 10.1002/CHIN.200332123
- 85203 - Eucryphia milliganii: 10.1016/S0305-1978(99)00045-9
- 140421 - Eucryphia moorei: 10.1016/S0305-1978(99)00045-9
- 149429 - Holocarpha: 10.1016/0305-1978(94)90092-2
- 9606 - Homo sapiens: -
- 126435 - Lantana camara: 10.1016/S0305-1978(96)00115-9
- 108398 - Larrea cuneifolia: 10.1016/S0031-9422(00)86519-X
- 109851 - Macaranga triloba: 10.1016/J.PHYTOCHEM.2003.10.026
- 1424733 - Mirabilis viscosa: 10.1016/S0305-1978(96)00081-6
- 84197 - Nolana rostrata: 10.1016/S0031-9422(97)00047-2
- 73198 - Pelargonium fulgidum: 10.1016/S0031-9422(97)00514-1
- 253082 - Pelargonium quercifolium: 10.1016/S0031-9422(97)00514-1
- 1077900 - Psiadia viscosa: 10.1016/S0031-9422(00)97976-7
- 54477 - Vitex agnus-castus: 10.1016/J.FITOTE.2010.12.003
- 29760 - Vitis vinifera: 10.1002/JSSC.200500003
- 101473 - Wollastonia biflora: 10.1021/NP060515P
- 71103 - Xanthocephalum gymnospermoides: 10.1016/S0031-9422(00)81782-3
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
- Marita Vu, Lars Herfindal, Ole Johan Juvik, Anni Vedeler, Svein Haavik, Torgils Fossen. Toxic aromatic compounds from fruits of Narthecium ossifragum L.
Phytochemistry.
2016 Dec; 132(?):76-85. doi:
10.1016/j.phytochem.2016.09.010. [PMID: 27720435] - Eva Kranjc, Alen Albreht, Irena Vovk, Damjan Makuc, Janez Plavec. Non-targeted chromatographic analyses of cuticular wax flavonoids from Physalis alkekengi L.
Journal of chromatography. A.
2016 Mar; 1437(?):95-106. doi:
10.1016/j.chroma.2016.01.061. [PMID: 26875116] - Ying-Kun Qiu, Ting-Guo Kang, De-Qiang Dou, Li Liang, Feng Dong. Three novel compounds from the leaves of Smallanthus sonchifolius.
Journal of Asian natural products research.
2008 Nov; 10(11-12):1109-15. doi:
10.1080/10286020802361230. [PMID: 19031255] - Li-Min Dai, Chun-Chao Zhao, Hui-zi Jin, Jian Tang, Yun-Heng Shen, Hui-Liang Li, Cai-Yun Peng, Wei-Dong Zhang. A new ferulic acid ester and other constituents from Dracocephalum peregrinum.
Archives of pharmacal research.
2008 Oct; 31(10):1325-9. doi:
10.1007/s12272-001-2113-2. [PMID: 18958424] - Esra Küpeli, Erdem Yesilada. Flavonoids with anti-inflammatory and antinociceptive activity from Cistus laurifolius L. leaves through bioassay-guided procedures.
Journal of ethnopharmacology.
2007 Jul; 112(3):524-30. doi:
10.1016/j.jep.2007.04.011. [PMID: 17540523] - Samir Kumar Sadhu, Emi Okuyama, Haruhiro Fujimoto, Masami Ishibashi, Erdem Yesilada. Prostaglandin inhibitory and antioxidant components of Cistus laurifolius, a Turkish medicinal plant.
Journal of ethnopharmacology.
2006 Dec; 108(3):371-8. doi:
10.1016/j.jep.2006.05.024. [PMID: 16814498] - Esra Küpeli, Didem Deliorman Orhan, Erdem Yesilada. Effect of Cistus laurifolius L. leaf extracts and flavonoids on acetaminophen-induced hepatotoxicity in mice.
Journal of ethnopharmacology.
2006 Feb; 103(3):455-60. doi:
10.1016/j.jep.2005.08.038. [PMID: 16216454] - Naoto Osaki, Takashi Koyano, Thaworn Kowithayakorn, Masahiko Hayashi, Kanki Komiyama, Masami Ishibashi. Sesquiterpenoids and plasmin-inhibitory flavonoids from Blumea balsamifera.
Journal of natural products.
2005 Mar; 68(3):447-9. doi:
10.1021/np049622e. [PMID: 15787457] - Pilar Puebla, Jose L López, Mario Guerrero, Rosalía Carrón, M Luisa Martín, Luis San Román, Arturo San Feliciano. Neo-clerodane diterpenoids from Croton schiedeanus.
Phytochemistry.
2003 Feb; 62(4):551-5. doi:
10.1016/s0031-9422(02)00516-2. [PMID: 12560024] - M F Guerrero, P Puebla, R Carrón, M L Martín, L San Román. Quercetin 3,7-dimethyl ether: a vasorelaxant flavonoid isolated from Croton schiedeanus Schlecht.
The Journal of pharmacy and pharmacology.
2002 Oct; 54(10):1373-8. doi:
10.1211/002235702760345455. [PMID: 12396299] - X P Dong, C T Che, N R Farnsworth. Cytotoxic flavonols from Gutierrezia microcephala.
Journal of natural products.
1987 Mar; 50(2):337-8. doi:
10.1021/np50050a065. [PMID: 3655803]
