(-)-Catechin 3-O-gallate (BioDeep_00000017299)
Secondary id: BioDeep_00000269608, BioDeep_00000400547
human metabolite PANOMIX_OTCML-2023 Endogenous
代谢物信息卡片
化学式: C22H18O10 (442.0899928)
中文名称: 儿茶素没食子酸酯
谱图信息:
最多检出来源 Viridiplantae(plant) 1.5%
分子结构信息
SMILES: C1(O)C=C2O[C@@H](C3C=C(O)C(O)=CC=3)[C@H](OC(C3C=C(O)C(O)=C(O)C=3)=O)CC2=C(O)C=1
InChI: InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2
描述信息
(-)-catechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. It has a role as a metabolite. It is a gallate ester, a polyphenol and a member of flavans. It is functionally related to a (-)-catechin and a gallic acid. It is an enantiomer of a (+)-catechin-3-O-gallate.
(-)-Catechin gallate is a natural product found in Rheum palmatum, Vitis vinifera, and other organisms with data available.
A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin.
(-)-Catechin 3-O-gallate is a polyphenol compound found in foods of plant origin (PMID: 20428313)
(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.
(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.
(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.
(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.
同义名列表
30 个代谢物同义名
Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2S-trans)-; Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; (2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; (2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate); [(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; (2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; 3,4,5-Trihydroxy-benzoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; [(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate; (-)-Catechin gallate, >=98\\% (HPLC), from green tea; (-)-Catechin gallate; 3-(3,4,5-trihydroxybenzoate); ent-Catechin 3-O-gallic acid; (-)-Catechin 3-O-gallic acid; ent-Catechin 3-gallic acid; (-)-catechin 3-o-gallate; (-)-catechin-3-o-gallate; (-)-Catechin gallate(CG); ent-Catechin 3-O-gallate; (-)-Catechin 3-gallate; Catechin gallate, (-)-; (?)-Catechin gallate; (-)-Catechin gallate; BCatechin gallate; catechin gallate; UNII-0KT1FO6VO6; (-)-Catechin; 0KT1FO6VO6; C22H18O10; (-)-CG; (-)-epicatechingallate
数据库引用编号
19 个数据库交叉引用编号
- ChEBI: CHEBI:76131
- ChEBI: CHEBI:191849
- PubChem: 6419835
- PubChem: 367141
- HMDB: HMDB0029255
- ChEMBL: CHEMBL129451
- ChEMBL: CHEMBL328085
- LipidMAPS: LMPK12020091
- MeSH: catechin gallate
- ChemIDplus: 0130405402
- MetaCyc: CPD-16530
- KNApSAcK: C00055757
- foodb: FDB000097
- chemspider: 4440417
- chemspider: 4925466
- CAS: 130405-40-2
- medchemexpress: HY-N0356
- PMhub: MS000000018
- MetaboLights: MTBLC76131
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
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)
23 个相关的物种来源信息
- 204988 - Acacia adunca:
- 3809 - Acacia confusa Merr.: -
- 880440 - Acacia pycnantha:
- 84005 - Arbutus unedo: 10.1002/PTR.1513
- 21563 - Averrhoa: 10.1007/S11418-008-0239-Y
- 29762 - Bergenia crassifolia: 10.1039/J39690001824
- 4270 - Byrsonima crassifolia: 10.1016/0031-9422(94)00934-L
- 1407748 - Camellia crassicolumna: 10.1021/JF802974M
- 4442 - Camellia sinensis:
- 35925 - Diospyros kaki: 10.1271/BBB.61.1099
- 76025 - Fallopia multiflora:
- 9606 - Homo sapiens: -
- 34305 - Lotus japonicus: 10.1016/S0031-9422(00)98001-4
- 148713 - Parapiptadenia rigida: 10.1021/NP100523S
- 46901 - Persicaria hydropiper: 10.1016/S0031-9422(00)95282-8
- 33090 - Plants: -
- 46786 - Polygonum: 10.1016/S0031-9422(98)00426-9
- 137221 - Rheum palmatum: 10.1007/S00216-013-6819-Z
- 289766 - Sclerocarya birrea: 10.1021/JF030374M
- 875634 - Vachellia gerrardii:
- 138033 - Vachellia nilotica:
- 29760 - Vitis vinifera: 10.1021/JF061155E
- 33090 - 茶: -
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
- Leandro Rocha Silva, Paulo Fernando da Silva Santos-Júnior, Júlia de Andrade Brandão, Letícia Anderson, Ênio José Bassi, João Xavier de Araújo-Júnior, Sílvia Helena Cardoso, Edeildo Ferreira da Silva-Júnior. Druggable targets from coronaviruses for designing new antiviral drugs.
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Phytomedicine : international journal of phytotherapy and phytopharmacology.
2011 Aug; 18(11):970-5. doi:
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International journal of antimicrobial agents.
2011 Aug; 38(2):99-107. doi:
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Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.
2011 Jul; 49(7):1592-7. doi:
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BMC neuroscience.
2011 Jun; 12(?):52. doi:
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Biochimica et biophysica acta.
2011 Jun; 1808(6):1654-60. doi:
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Arhiv za higijenu rada i toksikologiju.
2011 Jun; 62(2):139-46. doi:
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Plant foods for human nutrition (Dordrecht, Netherlands).
2011 Jun; 66(2):169-74. doi:
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Journal of agricultural and food chemistry.
2011 May; 59(10):5609-16. doi:
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Journal of agricultural and food chemistry.
2011 May; 59(9):4676-83. doi:
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Journal of AOAC International.
2011 Mar; 94(2):487-97. doi:
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Cytotechnology.
2011 Mar; 63(2):171-9. doi:
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BMC plant biology.
2011 Jan; 11(?):7. doi:
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Archives of oral biology.
2011 Jan; 56(1):48-53. doi:
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PloS one.
2011; 6(10):e25982. doi:
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PloS one.
2011; 6(5):e19825. doi:
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Biological & pharmaceutical bulletin.
2011; 34(4):462-70. doi:
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Journal of toxicology.
2011; 2011(?):645361. doi:
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PloS one.
2011; 6(7):e21779. doi:
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Evidence-based complementary and alternative medicine : eCAM.
2011; 2011(?):586506. doi:
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Journal of toxicology.
2011; 2011(?):467305. doi:
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Food & function.
2011 Jan; 2(1):28-38. doi:
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International journal of molecular sciences.
2011; 12(3):1862-75. doi:
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Pharmacognosy reviews.
2011 Jan; 5(9):19-29. doi:
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International journal of molecular sciences.
2011; 12(11):7581-93. doi:
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Caries research.
2011; 45(4):327-35. doi:
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Evidence-based complementary and alternative medicine : eCAM.
2011; 2011(?):680354. doi:
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Journal of natural products.
2010 Dec; 73(12):2035-41. doi:
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BMC complementary and alternative medicine.
2010 Dec; 10(?):76. doi:
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PloS one.
2010 Dec; 5(12):e14217. doi:
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Food science and technology international = Ciencia y tecnologia de los alimentos internacional.
2010 Dec; 16(6):505-10. doi:
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Breast cancer research and treatment.
2010 Dec; 124(3):827-34. doi:
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Nutrition journal.
2010 Nov; 9(?):63. doi:
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Talanta.
2010 Oct; 82(5):1687-95. doi:
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Biotechnology journal.
2010 Oct; 5(10):1050-9. doi:
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PloS one.
2010 Sep; 5(9):e12878. doi:
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Pharmacognosy research.
2010 Sep; 2(5):279-84. doi:
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BMC complementary and alternative medicine.
2010 Aug; 10(?):46. doi:
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Biochemical pharmacology.
2010 Aug; 80(4):512-21. doi:
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Journal of ethnopharmacology.
2010 Aug; 130(3):614-20. doi:
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Molecular carcinogenesis.
2010 Aug; 49(8):739-49. doi:
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Cancer prevention research (Philadelphia, Pa.).
2010 Aug; 3(8):985-93. doi:
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Journal of agricultural and food chemistry.
2010 Jul; 58(14):8351-6. doi:
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BMC plant biology.
2010 Jun; 10(?):114. doi:
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Journal of agricultural and food chemistry.
2010 Jun; 58(11):6608-13. doi:
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Plant foods for human nutrition (Dordrecht, Netherlands).
2010 Jun; 65(2):186-91. doi:
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Diabetes, metabolic syndrome and obesity : targets and therapy.
2010 May; 3(?):125-43. doi:
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International journal of molecular sciences.
2010 Apr; 11(4):1679-703. doi:
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Journal of agricultural and food chemistry.
2010 Mar; 58(6):3591-9. doi:
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