Macrocarpal B (BioDeep_00000396564)

 

Secondary id: BioDeep_00000021697

PANOMIX_OTCML-2023


代谢物信息卡片


1H-Cycloprop[e]azulene, 1,3-benzenedicarboxaldehyde deriv.; 5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-Decahydro-4-hydroxy-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

化学式: C28H40O6 (472.28247400000004)
中文名称: 大果桉醛B, MACROCARPAL B
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 13.33%

分子结构信息

SMILES: CC(C)CC(C1=C(C(=C(C(=C1O)C=O)O)C=O)O)C2(CCC3C2C4C(C4(C)C)CCC3(C)O)C
InChI: InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19-,21-,22-,27-,28-/m1/s1

描述信息

Macrocarpal B is a sesquiterpenoid.
Macrocarpal B is a natural product found in Eucalyptus sideroxylon, Eucalyptus amplifolia, and other organisms with data available.

同义名列表

9 个代谢物同义名

1H-Cycloprop[e]azulene, 1,3-benzenedicarboxaldehyde deriv.; 5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-Decahydro-4-hydroxy-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde; 5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde; 5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde; 1,3-Benzenedicarboxaldehyde,5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-decahydro-4-hydroxy-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxy-; 5-[(1S)-1-((11S,7R)-7-hydroxy-3,3,7,11-tetramethyltricyclo[6.3.0.0<2,4>]undec-11-yl)-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde; 5-((1S)-1-((11S,7R)-7-hydroxy-3,3,7,11-tetramethyltricyclo(6.3.0.0(2,4))undec-11-yl)-3-methylbutyl)-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde; Macrocarpal B; 2,4,6-Trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulen-7-yl)-3-methylbutyl]isophthalaldehyde; 2,4,6-trihydroxy-5-(1-{4-hydroxy-1,4,7,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-1-yl}-3-methylbutyl)benzene-1,3-dicarbaldehyde



数据库引用编号

9 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)

0 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

  • Thi-Anh Pham, Xiao-Long Hu, Xiao-Jun Huang, Ming-Xi Ma, Jia-Hao Feng, Jun-Yan Li, Ji-Qin Hou, Pei-Lin Zhang, Van-Hung Nguyen, Manh-Tuyen Nguyen, Fei Xiong, Chun-Lin Fan, Xiao-Qi Zhang, Wen-Cai Ye, Hao Wang. Phloroglucinols with Immunosuppressive Activities from the Fruits of Eucalyptus globulus. Journal of natural products. 2019 04; 82(4):859-869. doi: 10.1021/acs.jnatprod.8b00920. [PMID: 30848923]
  • Yang Yu, Li-She Gan, Sheng-Ping Yang, Li Sheng, Qun-Fang Liu, Shao-Nong Chen, Jia Li, Jian-Min Yue. Eucarobustols A-I, Conjugates of Sesquiterpenoids and Acylphloroglucinols from Eucalyptus robusta. Journal of natural products. 2016 05; 79(5):1365-72. doi: 10.1021/acs.jnatprod.6b00090. [PMID: 27142786]
  • Sheng-Ping Yang, Xiao-Wei Zhang, Jing Ai, Li-She Gan, Jin-Biao Xu, Ying Wang, Zu-Shang Su, Lu Wang, Jian Ding, Mei-Yu Geng, Jian-Min Yue. Potent HGF/c-Met axis inhibitors from Eucalyptus globulus: the coupling of phloroglucinol and sesquiterpenoid is essential for the activity. Journal of medicinal chemistry. 2012 Sep; 55(18):8183-7. doi: 10.1021/jm3007454. [PMID: 22934600]
  • Xiu-Wei Yang, Qing-Mei Guo. [Studies on chemical constituents in fruits of Eucalyptus globulus]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2007 Mar; 32(6):496-500. doi: . [PMID: 17552153]
  • K Osawa, H Yasuda, H Morita, K Takeya, H Itokawa. Macrocarpals H, I, and J from the Leaves of Eucalyptus globulus. Journal of natural products. 1996 Sep; 59(9):823-7. doi: 10.1021/np9604994. [PMID: 8864235]