扁枝衣二酸结构式
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常用名 | 扁枝衣二酸 | 英文名 | Evernic Acid |
|---|---|---|---|---|
| CAS号 | 537-09-7 | 分子量 | 332.30500 | |
| 密度 | 1.391g/cm3 | 沸点 | 531.8ºC at 760mmHg | |
| 分子式 | C17H16O7 | 熔点 | 166-167ºC | |
| MSDS | N/A | 闪点 | 194.6ºC |
扁枝衣二酸用途Evernic Acid是地衣产生的次生代谢产物,包括Ramalina、Evernia和Hypogymnia,一些研究已经描述了其抗癌、抗真菌和抗菌作用。神经保护和抗炎作用[1]。 |
| 中文名 | 扁枝衣二酸 |
|---|---|
| 英文名 | 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid |
| 中文别名 | 煤地衣酸 |
| 英文别名 | 更多 |
| 描述 | Evernic Acid是地衣产生的次生代谢产物,包括Ramalina、Evernia和Hypogymnia,一些研究已经描述了其抗癌、抗真菌和抗菌作用。神经保护和抗炎作用[1]。 |
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| 相关类别 | |
| 靶点实验 |
Fungal Metabolite |
| 参考文献 |
| 密度 | 1.391g/cm3 |
|---|---|
| 沸点 | 531.8ºC at 760mmHg |
| 熔点 | 166-167ºC |
| 分子式 | C17H16O7 |
| 分子量 | 332.30500 |
| 闪点 | 194.6ºC |
| 精确质量 | 332.09000 |
| PSA | 113.29000 |
| LogP | 2.64060 |
| InChIKey | GODLCSLPZIBRMG-UHFFFAOYSA-N |
| SMILES | COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1 |
| 折射率 | 1.576 |
| 储存条件 | -20°C,密闭,干燥 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):4 2.氢键供体数量:3 3.氢键受体数量:7 4.可旋转化学键数量:5 5.互变异构体数量:169 6.拓扑分子极性表面积:113 7.重原子数量:24 8.表面电荷:0 9.复杂度:466 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 海关编码 | 2918990090 |
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| 扁枝衣二酸上游产品 0 | |
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| 扁枝衣二酸下游产品 5 | |
| 海关编码 | 2918990090 |
|---|---|
| 中文概述 | 2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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实验名称:Toxicity against neonate larval stage of Spodoptera littoralis fed with diet containi...
来源:ChEMBL
靶标:Spodoptera littoralis
External Id:CHEMBL3057995
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:Growth retarding activity against neonate larval stage of Spodoptera littoralis fed w...
来源:ChEMBL
靶标:Spodoptera littoralis
External Id:CHEMBL3058022
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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| EINECS 208-658-2 |
| Lecanoric acid methyl ether |
| Evernic acid,pruiss |
| Monomethylaether-p-diorsellinsaeure |
| 2-hydroxy-4-methoxy-6-methylbenzoic acid 4'-carboxy-3'-hydroxy-5'-methylphenyl ester |
| Evernic acid |
| Monomethylaether-lecanorsaeure |