3,4-Dihydro-2H-1-benzopyran-2-one (BioDeep_00000000442)

 

Secondary id: BioDeep_00000870416

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H

化学式: C9H8O2 (148.0524268)
中文名称: 二氢香豆素, 二氢香豆精, 氢化肉桂酸内酯
谱图信息: 最多检出来源 Viridiplantae(plant) 0.03%

分子结构信息

SMILES: C1CC(=O)OC2=CC=CC=C21
InChI: InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2

描述信息

3,4-Dihydro-2H-1-benzopyran-2-one, also known as 3,4-dihydrocoumarin or 1,2-benzodihydropyrone, belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that are 1-benzopyran carrying an oxo group at the 2-position. 3,4-Dihydro-2H-1-benzopyran-2-one exists in all living organisms, ranging from bacteria to humans. 3,4-Dihydro-2H-1-benzopyran-2-one is a sweet, almond, and cinnamon tasting compound. 3,4-Dihydro-2H-1-benzopyran-2-one has been detected, but not quantified, in several different foods, such as green vegetables, pulses, sour cherries, and tarragons. A chromanone that is the 3,4-dihydro derivative of coumarin.
3,4-dihydrocoumarin is a white to pale yellow clear oily liquid with a sweet odor. Solidifies around room temperature. (NTP, 1992)
3,4-dihydrocoumarin is a chromanone that is the 3,4-dihydro derivative of coumarin. It has a role as a plant metabolite. It is functionally related to a coumarin.
3,4-Dihydrocoumarin is a natural product found in Glebionis segetum, Prunus mahaleb, and other organisms with data available.
Isolated from Melilotus officinalis (sweet clover). Flavouring ingredient. 3,4-Dihydro-2H-1-benzopyran-2-one is found in many foods, some of which are sour cherry, tarragon, green vegetables, and pulses.
A chromanone that is the 3,4-dihydro derivative of coumarin.
[Raw Data] CB236_3; 4-Dihydrocoumarin_pos_20eV_CB000080.txt
[Raw Data] CB236_3; 4-Dihydrocoumarin_pos_30eV_CB000080.txt
[Raw Data] CB236_3; 4-Dihydrocoumarin_pos_10eV_CB000080.txt
Dihydrocoumarin is a compound found in Melilotus officinalis. Dihydrocoumarin is a yeast Sir2p inhibitor. Dihydrocoumarin also inhibits human SIRT1 and SIRT2 with IC50s of 208 μM and 295 μM, respectively[1].
Dihydrocoumarin is a compound found in Melilotus officinalis. Dihydrocoumarin is a yeast Sir2p inhibitor. Dihydrocoumarin also inhibits human SIRT1 and SIRT2 with IC50s of 208 μM and 295 μM, respectively[1].
Dihydrocoumarin is a compound found in Melilotus officinalis. Dihydrocoumarin is a yeast Sir2p inhibitor. Dihydrocoumarin also inhibits human SIRT1 and SIRT2 with IC50s of 208 μM and 295 μM, respectively[1].

同义名列表

78 个代谢物同义名

InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H; Hydrocinnamic acid, o-hydroxy-, .delta.-lactone; Hydrocinnamic acid, o-hydroxy-, delta-lactone; O-HYDROXY-HYDROCINNAMIC ACID-.DELTA.-LACTONE; 5-17-10-00013 (Beilstein Handbook Reference); o-hydroxyhydrocinnamic acid delta-lactone; Hydroxydihydrocinnamic acid lactone, o-; hydrocinnamic acid, o-hydroxy-,lactone; O-Hydroxyhydrocinnamic acid δ-lactone; 2-Hydroxydihydrocinnamic acid lactone; O-Hydroxyhydrocinnamate delta-lactone; o-hydroxydihydrocinnamic acid lactone; Dihydrocoumarin, analytical standard; 2H-1-Benzopyran-2-one, 3, 4-dihydro-; Hydrocinnamic acid, .delta.-lactone; o-hydroxyhydrocinnamic acid lactone; 2H-1-Benzopyran-2-one, 3,4-dihydro-; 2-Hydroxydihydrocinnamate lactone; 3,4-Dihydro-2H-1-benzopyran-2-one; O-Hydroxydihydrocinnamate lactone; O-Hydroxyhydrocinnamate δ-lactone; 2H-1-Benzopyran-2-one,4-dihydro-; Dihydrocoumarin, >=99\\%, FCC, FG; 3,4-Dihydro-1-benzopyran-2-one; 2-Hydroxyhydrocinnamic lactone; 1,2-BENZODIHYDROPYRONE [FCC]; 3,4-dihydro-2H-chromen-2-one; 3,4-dihydrochromen-2-one; Benzopyranone, dihydro-; DIHYDROCOUMARIN [FHFI]; 1,2-benzodihydropyrone; Melilotic acid lactone; DIHYDROCOUMARIN [INCI]; Coumarin, 3,4-dihydro-; 3,4-Dihydroxycoumarin; Dihydro-Benzopyranone; Dihydrocoumarin, 99\\%; 3,4-Dihydro-Coumarin; COUMARIN,3,4-DIHYDRO; 3,4 -dihydrocoumarin; Melilotin (coumarin); 3,4-dihydrocoumarine; Dihydrobenzenopyrone; Coumarin,4-dihydro-; 2,3-dihydrocoumarin; 3,4-Dyhydrocoumarin; 3,4-Dihydrocumarine; 3,4-Dihydrocoumarin; Hydrocoumarin, 8CI; Benzodihydropyrone; Melilotate lactone; Dihydrobenzopyrone; WLN: T66 BOVT & J; melilotic lactone; MELILOTIN [HSDB]; dihydrocoumarine; Chroman, 2-oxo-; dihydrocoumarin; UNII-NM5K1Y1BT2; dihydrocumarin; Chroman-2-one; 2-oxo-chroman; hydrocoumarin; Tox21_202137; NCI60_000035; 2-Oxochroman; Tox21_302745; 2-chromanone; Melilotin??; Melilotine; Usaf do-12; Oxochroman; NM5K1Y1BT2; melilotin; Meliotine; melilotol; FEMA 2381; AI3-03425



数据库引用编号

23 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(1)

PlantCyc(1)

代谢反应

6 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(5)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

21 个相关的物种来源信息

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

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