Azadirachtin B (BioDeep_00000395659)

   

PANOMIX_OTCML-2023 Antitumor activity


代谢物信息卡片


dimethyl (2aR,2a1R,3S,4S,4aR,5S,7aS,8S,10R,10aS)-3,8-dihydroxy-4-((1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[2,3-e]oxepin-1a(2H)-yl)-4-methyl-10-(((E)-2-methylbut-2-enoyl)oxy)octahydro-1H,7H-naphtho[1,8-bc:4,4a-c]difuran-5,10a(8H)-dicarboxylate

化学式: C33H42O14 (662.2574432)
中文名称: 印楝素 B
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 5.71%

分子结构信息

SMILES: CC=C(C)C(=O)OC1CC(C23COC(C2C(C(C4C3C1(CO4)C(=O)OC)O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)C(=O)OC)O
InChI: InChI=1S/C33H42O14/c1-7-14(2)24(36)45-17-11-16(34)30-12-44-20(25(37)40-5)21(30)28(3,23(35)19-22(30)31(17,13-43-19)26(38)41-6)33-18-10-15(29(33,4)47-33)32(39)8-9-42-27(32)46-18/h7-9,15-23,27,34-35,39H,10-13H2,1-6H3/b14-7+/t15-,16+,17-,18+,19-,20+,21+,22-,23-,27+,28+,29+,30-,31+,32+,33+/m1/s1

描述信息

Deacetylazadirachtinol is a natural product found in Azadirachta indica and Azadirachta excelsa with data available.
Azadirachtin B is an limonoid isolated from seed kernels of Azadirachta indica. Azadirachtin B increases alkaline phosphatase (ALP) activity and stimulates osteoblast differentiation. Azadirachtin B is active against the Epstein-Barr virus early antigen (EBV-EA). Azadirachtin B has insecticidal, nematocidal, anticancer, anti-inflammatory, antiviral and osteogenic properties[1][2][3].

同义名列表

12 个代谢物同义名

dimethyl (2aR,2a1R,3S,4S,4aR,5S,7aS,8S,10R,10aS)-3,8-dihydroxy-4-((1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[2,3-e]oxepin-1a(2H)-yl)-4-methyl-10-(((E)-2-methylbut-2-enoyl)oxy)octahydro-1H,7H-naphtho[1,8-bc:4,4a-c]difuran-5,10a(8H)-dicarboxylate; dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-7,14-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-12-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate; USRBWQQLHKQWAV-ZGKQVQOISA-N; Azadirachtinol deacetyl; 3-tigloyl-azadirachtol; Deacetylazadirachtinol; 3-Tigloylazadirachtol; AZADIRACHTIN B(SH); AZADIRACHTINB(P); UNII-X5T1RMZ28I; Azadirachtin B; X5T1RMZ28I



数据库引用编号

5 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

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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)

1 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

  • Susana Grimalt, Dean Thompson, Derek Chartrand, John McFarlane, Blair Helson, Barry Lyons, Joe Meating, Taylor Scarr. Foliar residue dynamics of azadirachtins following direct stem injection into white and green ash trees for control of emerald ash borer. Pest management science. 2011 Oct; 67(10):1277-84. doi: 10.1002/ps.2183. [PMID: 21567888]
  • Susana Grimalt, Dean G Thompson, Melanie Coppens, Derek T Chartrand, Thomas Shorney, Joe Meating, Taylor Scarr. Analytical study of azadirachtin and 3-tigloylazadirachtol residues in foliage and phloem of hardwood tree species by liquid chromatography-electrospray mass spectrometry. Journal of agricultural and food chemistry. 2011 Aug; 59(15):8070-7. doi: 10.1021/jf2023947. [PMID: 21726086]
  • Giorgia Sarais, Alberto Angioni, Francesco Lai, Paolo Cabras, Pierluigi Caboni. Persistence of two neem formulations on peach leaves and fruit: effect of the distribution. Journal of agricultural and food chemistry. 2009 Mar; 57(6):2457-61. doi: 10.1021/jf803697h. [PMID: 19292469]
  • Pierluigi Caboni, Giorgia Sarais, Alberto Angioni, Ana Juan Garcia, Francesco Lai, Fabrizio Dedola, Paolo Cabras. Residues and persistence of neem formulations on strawberry after field treatment. Journal of agricultural and food chemistry. 2006 Dec; 54(26):10026-32. doi: 10.1021/jf062461v. [PMID: 17177537]
  • Gunda Thoeming, Gerald Draeger, Hans-Michael Poehling. Soil application of azadirachtin and 3-tigloyl-azadirachtol to control western flower thrips, Frankliniella occidentalis (Thysanoptera: Thripidae): translocation and persistence in bean plants. Pest management science. 2006 Aug; 62(8):759-67. doi: 10.1002/ps.1239. [PMID: 16752388]