7N5E50463V (BioDeep_00000230136)

 

Secondary id: BioDeep_00000008154, BioDeep_00000860798

PANOMIX_OTCML-2023 Volatile Flavor Compounds


代谢物信息卡片


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-alpha))-

化学式: C21H20O8 (400.115812)
中文名称: 4'-去甲鬼臼毒素, 4-去甲基鬼臼毒素, 4-去甲鬼臼毒素, 依托泊苷杂质1, 4'-去甲鬼臼毒素
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 60%

分子结构信息

SMILES: c12c(cc3c(c1)OCO3)[C@@H]([C@@H]1[C@@H]([C@@H]2c2cc(c(c(c2)OC)O)OC)C(=O)OC1)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-demethylpodophyllotoxin is an organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. It has a role as a metabolite. It is a furonaphthodioxole, an organic heterotetracyclic compound and a member of phenols.
4-Demethylpodophyllotoxin is a natural product found in Diphylleia grayi, Podophyllum peltatum, and other organisms with data available.
An organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol.
4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].
4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].

同义名列表

16 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-alpha))-; 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,9R)-; (5R,5aR,8aR,9R)-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; (5R,5aR,8aR,9R)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one; (5R,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; (5R,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; 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; 4'-Demethylpodophyllotoxin; O(4)-demethylpodophyllotoxin; 4-O-demethylpodophyllotoxin; 4-Demethyl-Podophyllotoxin; 4-Demethylpodophyllotoxin; UNII-7N5E50463V; 7N5E50463V; 4'-Demethylpodophyllotoxin; 4'-Demethylpodophyllotoxin



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

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代谢反应

0 个相关的代谢反应过程信息。

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BioCyc(0)

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Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

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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

  • Yan-Jun Sun, Zhan-Lin Li, Hong Chen, Xiao-Qiu Liu, Wei Zhou, Hui-Ming Hua. Three new cytotoxic aryltetralin lignans from Sinopodophyllum emodi. Bioorganic & medicinal chemistry letters. 2011 Jun; 21(12):3794-7. doi: 10.1016/j.bmcl.2011.04.036. [PMID: 21570846]
  • Ren-Wang Jiang, Jin-Rong Zhou, Po-Ming Hon, Song-Lin Li, Yan Zhou, Ling-Lin Li, Wen-Cai Ye, Hong-Xi Xu, Pang-Chui Shaw, Paul Pui-Hay But. Lignans from Dysosma versipellis with inhibitory effects on prostate cancer cell lines. Journal of natural products. 2007 Feb; 70(2):283-6. doi: 10.1021/np060430o. [PMID: 17256902]