Aspidin (BioDeep_00000008244)

   

PANOMIX_OTCML-2023 Antitumor activity


代谢物信息卡片


2,5-Cyclohexadien-1-one, 2-((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-

化学式: C25H32O8 (460.20970719999997)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 11.76%

分子结构信息

SMILES: CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O
InChI: InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-31H,7-11H2,1-6H3

描述信息

Aspidin is a carboxylic ester. It is functionally related to a phloroglucinol.
Aspidin is a natural product found in Dryopteris fragrans with data available.
Aspidin BB is a phloroglucinol derivative, which can be isolated from the aerial part of Dryopteris championii. Aspidin BB has anticancer activity. Aspidin BB induces cell cycle arrest and apoptosis in human ovarian HO-8910 cells[1][2].
Aspidin BB is a phloroglucinol derivative, which can be isolated from the aerial part of Dryopteris championii. Aspidin BB has anticancer activity. Aspidin BB induces cell cycle arrest and apoptosis in human ovarian HO-8910 cells[1][2].

同义名列表

21 个代谢物同义名

2,5-Cyclohexadien-1-one, 2-((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-; 2-((2,6-DIHYDROXY-4-METHOXY-3-METHYL-5-(1-OXOBUTYL)PHENYL)METHYL)-3,5-DIHYDROXY-4,4-DIMETHYL-6-(1-OXOBUTYL)-2,5-CYCLOHEXADIEN-1-ONE; 2-butanoyl-4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one; 2-butanoyl-6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dien-1-one; 2-butanoyl-4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one; 3-((5-BUTYRYL-2,4-DIHYDROXY-3,3-DIMETHYL-6-OXO-1,4-CYCLOHEXADIEN-1-YL)METHYL)-2,4-DIHYDROXY-6-METHOXY-5-METHYLBUTYROPHENONE; 2-Butyryl-6-(3-butyryl-2,6-dihydroxy-4-methoxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one; 4-08-00-03749 (Beilstein Handbook Reference); UNII-N21SD2R570; ASPIDIN [MI]; Aspidin BB; Aspidin VV; N21SD2R570; Aspidin; 4-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone; 2-butyryl-4-(3-butyryl-2,6-dihydroxy-4-methoxy-5-methyl-benzyl)-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one; BRN 2068604; AIDS-048751; AIDS048751; 584-28-1; C10672



数据库引用编号

16 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)

4 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

  • Jonathan Sorres, Amandine André, Elsa Van Elslande, Didier Stien, Véronique Eparvier. Potent and Non-Cytotoxic Antibacterial Compounds Against Methicillin-Resistant Staphylococcus aureus Isolated from Psiloxylon mauritianum, A Medicinal Plant from Reunion Island. Molecules (Basel, Switzerland). 2020 Aug; 25(16):. doi: 10.3390/molecules25163565. [PMID: 32764510]
  • Juan Carlos Romero-Benavides, Ana Lucía Ruano, Ronal Silva-Rivas, Paola Castillo-Veintimilla, Sara Vivanco-Jaramillo, Natalia Bailon-Moscoso. Medicinal plants used as anthelmintics: Ethnomedical, pharmacological, and phytochemical studies. European journal of medicinal chemistry. 2017 Mar; 129(?):209-217. doi: 10.1016/j.ejmech.2017.02.005. [PMID: 28231520]
  • Chang Gao, Na Guo, Na Li, Xiao Peng, Peng Wang, Wei Wang, Meng Luo, Yu-Jie Fu. Investigation of antibacterial activity of aspidin BB against Propionibacterium acnes. Archives of dermatological research. 2016 Mar; 308(2):79-86. doi: 10.1007/s00403-015-1603-x. [PMID: 26596576]
  • Xiao-Juan Li, Yu-Jie Fu, Meng Luo, Wei Wang, Lin Zhang, Chun-Jian Zhao, Yuan-Gang Zu. Preparative separation of dryofragin and aspidin BB from Dryopteris fragrans extracts by macroporous resin column chromatography. Journal of pharmaceutical and biomedical analysis. 2012 Mar; 61(?):199-206. doi: 10.1016/j.jpba.2011.12.003. [PMID: 22209481]
  • G J Kapadia, H Tokuda, T Konoshima, M Takasaki, J Takayasu, H Nishino. Anti-tumor promoting activity of Dryopteris phlorophenone derivatives. Cancer letters. 1996 Aug; 105(2):161-5. doi: 10.1016/0304-3835(96)04275-9. [PMID: 8697439]