4'-Demethylepipodophyllotoxin (BioDeep_00000000526)

 

Secondary id: BioDeep_00000600165

PANOMIX_OTCML-2023


代谢物信息卡片


(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

化学式: C21H20O8 (400.115812)
中文名称: 4'-去甲基表鬼臼毒素, 4-去甲基表鬼臼毒素
谱图信息: 最多检出来源 Viridiplantae(plant) 0.08%

Reviewed

Last reviewed on 2024-08-14.

Cite this Page

4'-Demethylepipodophyllotoxin. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/4_-demethylepipodophyllotoxin (retrieved 2024-09-21) (BioDeep RN: BioDeep_00000000526). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

分子结构信息

SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O
InChI: InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1

描述信息

4-demethylepipodophyllotoxin is an organic heterotetracyclic compound that is the 9- epimer of 4-demethylpodophyllotoxin. It has a role as an antineoplastic agent. It is a furonaphthodioxole, an organic heterotetracyclic compound and a member of phenols.
An organic heterotetracyclic compound that is the 9- epimer of 4-demethylpodophyllotoxin.
4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly.
4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly.

同义名列表

37 个代谢物同义名

Furo(3,4:6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-beta))-; (5R-(5alpha,5abeta,8aalpha,9beta))-5,8,8a,9-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo(3,4:6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; (10R,11R,15R,16S)-16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-12-one; (10R,11R,15R,16S)-16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one; FURO(3,4:6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-9-HYDROXY-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AR,8AR,9S)-; Furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-; (5R,5aR,8aR,9S)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; (5R,5aR,8aR,9S)-5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; (5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; (5s,5ar,8ar,9r)-9-(3,5-Dimethoxy-4-Oxidanyl-Phenyl)-5-Oxidanyl-5a,6,8a,9-Tetrahydro-5h-[2]benzofuro[6,5-F][1,3]benzodioxol-8-One; (5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-on; (5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; 4-Demethylepipodophyllotoxin; Teniposide Related Compound A; Etoposide Impurity E; Podophyllotoxin Impurity B; 4-O-demethylepipodophyllotoxin;4-DMEP; (-)-4-demethyl-epipodophyllotoxin; 4'-Demethylepipodophyllotoxin; 4-O-demethyl-4-epipodophyllotoxin; (-)-4-Demethylepipodophyllotoxin; 4-demethyl-9-epipodophyllotoxin; Epipodophyllotoxin, 4-demethyl-; 4-O-demethylepipodophyllotoxin; 4-demethyl epipodophyllotoxin; 4-Demethyl-epipodophyllotoxin; epi-4-demethylpodophyllotoxin; 4-Demethylepipodophyllotoxin; Demethylpodophyllotoxin, 4-; YVCVYCSAAZQOJI-JHQYFNNDSA-N; etoposide aglycone; UNII-X0S6I23X6L; Tox21_113196; X0S6I23X6L; 4-DMEP; DMEP; 89O; 4'-O-demethylepipodophyllotoxin; 4'-DMEP; 4'-Demethylepipodophyllotoxin



数据库引用编号

10 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

2 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(1)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

2 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

  • Shenghu Guo, Yuchao Chen, Yongxing Zhu, Mei Tian. Transcriptome analysis reveals differentially expressed genes involved in somatic embryogenesis and podophyllotoxin biosynthesis of Sinopodophyllum hexandrum (Royle) T. S. Ying. Protoplasma. 2023 Feb; ?(?):. doi: 10.1007/s00709-023-01843-9. [PMID: 36840780]
  • Jian-Long Li, Wei Zhao, Chen Zhou, Ya-Xuan Zhang, Hong-Mei Li, Ya-Ling Tang, Xin-Hua Liang, Tao Chen, Ya-Jie Tang. Comparison of carbon-sulfur and carbon-amine bond in therapeutic drug: 4β-S-aromatic heterocyclic podophyllum derivatives display antitumor activity. Scientific reports. 2015 Oct; 5(?):14814. doi: 10.1038/srep14814. [PMID: 26443888]
  • Warren Lau, Elizabeth S Sattely. Six enzymes from mayapple that complete the biosynthetic pathway to the etoposide aglycone. Science (New York, N.Y.). 2015 Sep; 349(6253):1224-8. doi: 10.1126/science.aac7202. [PMID: 26359402]
  • Xiao-Yu Zhang, Wen-Guang Li, Yong-Jie Wu, Xuan Tian. Antioxidative and antitumor activity of derivatives of 4-beta-amino-4'-demethylepipodophyllotoxin and their structure-activity relationship. Die Pharmazie. 2007 Jun; 62(6):432-8. doi: . [PMID: 17663190]
  • J H Holmes, I Kanfer, H Zwarenstein. Effect of benzodiazepine derivatives on human blood cholinesterase in vitro. Research communications in chemical pathology and pharmacology. 1978 Aug; 21(2):367-70. doi: . [PMID: 29327]