Isomorellic acid (BioDeep_00000017327)

 

Secondary id: BioDeep_00000264991

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


(2Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid

化学式: C33H36O8 (560.2410056)
中文名称: 藤黄酸B, 藤黄酸
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2%

分子结构信息

SMILES: c12c(c(c3c(c1CC=C(C)C)O[C@@]14C(=C[C@H]5C(=O)[C@@]1(OC([C@@H]4C5)(C)C)C/C=C(/C(=O)O)\C)C3=O)O)C=CC(O2)(C)C
InChI: InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10+/t18-,22+,32+,33-/m1/s1

描述信息

Morellic acid is found in fruits. Morellic acid is from Garcinia morella (batuan
Isomorellic acid is a member of pyranoxanthones.
Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1].
Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1].

同义名列表

18 个代谢物同义名

(2Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid; (2Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid; (2Z)-4-[12-Hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate; (Z)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid; Butyl ester OF hexanoic acid; n-Caproic acid n-butyl ester; Hexanoic acid, butyl ester; Butyl hexanoic acid; N-Butyl N-hexanoate; N-Butyl hexanoate; N-Butyl caproate; Isomorellic acid; Butyl caprylate; Butyl caproate; morellic acid; Isomorellate; FEMA 2201; Morellic



数据库引用编号

14 个数据库交叉引用编号

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)

10 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

  • Guang-Wei Li, Xiu-Lin Chen, Xiang-Li Xu, Jun-Xiang Wu. Degradation of sex pheromone and plant volatile components by an antennal glutathione S-transferase in the oriental fruit moth,Grapholita molesta Busck (Lepidoptera: Tortricidae). Archives of insect biochemistry and physiology. 2018 Dec; 99(4):e21512. doi: 10.1002/arch.21512. [PMID: 30387866]
  • Yang Li, Qi Zhang, Daqing Jiang. Validation of an HPLC-MS-MS assay for determination of morellic acid in rat plasma: application to pharmacokinetic studies. Journal of chromatographic science. 2015 Nov; 53(10):1695-700. doi: 10.1093/chromsci/bmv073. [PMID: 26071609]
  • Dong H Cha, Thomas H Q Powell, Jeffrey L Feder, Charles E Linn. Identification of fruit volatiles from green hawthorn (Crataegus viridis) and blueberry hawthorn (Crataegus brachyacantha) host plants attractive to different phenotypes of Rhagoletis pomonella flies in the southern United States. Journal of chemical ecology. 2011 Sep; 37(9):974-83. doi: 10.1007/s10886-011-0014-5. [PMID: 21887525]
  • Yulin Ren, Chunhua Yuan, Hee-byung Chai, Yuanqing Ding, Xing-Cong Li, Daneel Ferreira, A Douglas Kinghorn. Absolute configuration of (-)-gambogic acid, an antitumor agent. Journal of natural products. 2011 Mar; 74(3):460-3. doi: 10.1021/np100422z. [PMID: 21067206]
  • Alan Hern, Silvia Dorn. A female-specific attractant for the codling moth, Cydia pomonella, from apple fruit volatiles. Die Naturwissenschaften. 2004 Feb; 91(2):77-80. doi: 10.1007/s00114-003-0484-6. [PMID: 14991144]