Digoxigenin (BioDeep_00000395747)

 

Secondary id: BioDeep_00000637362

natural product PANOMIX_OTCML-2023


代谢物信息卡片


3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

化学式: C23H34O5 (390.24061140000003)
中文名称: 异羟基洋地黄毒苷配基, 异羟基洋地黄毒苷元, 异羟基洋地黄毒甙元, 地谷新配基, 地黄苷元
谱图信息: 最多检出来源 Viridiplantae(plant) 4.8%

分子结构信息

SMILES: C1[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@@H](O)[C@@]2(C)[C@]3(O)CC[C@]2([H])C2=CC(=O)OC2)C[C@@H](O)C1
InChI: InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

描述信息

Digoxigenin is a hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. It has a role as a hapten and a plant metabolite. It is a 3beta-sterol, a 12beta-hydroxy steroid, a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It is a conjugate acid of a digoxigenin(1-). It derives from a hydride of a 5beta-cardanolide.
Digoxigenin is a cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.
Digoxigenin is a natural product found in Digitalis purpurea with data available.
3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.
A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.850
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.847
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.848

同义名列表

46 个代谢物同义名

3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 4-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one; 4-((3S,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one; delta-sup(20:22)-3-beta,12-beta,14,21-Tetrahydroxynorcholenic acid lactone; Card-20(22)-enolide, 3,12,14-trihydroxy-, (3.beta.,5.beta,12.beta.)-; 3beta,12beta,14beta,21-Tetrahydroxy-20(22)-norcholenic acid lactone; (3alpha,5beta,8alpha,12beta)-3,12,14-trihydroxycard-20(22)-enolide; Card-20(22)-enolide, 3,12,14-trihydroxy-, (3-beta,5-beta,12-beta)-; Card-20(22)-enolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-; Digoxigenin, European Pharmacopoeia (EP) Reference Standard; 3.BETA.,12.BETA.,14-TRIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE; (3beta,5beta,12beta)-3,12,14-Trihydroxycard-20(22)-enolide; Card-20(22)-enolide, 3,12,14-trihydroxy-, (3ss,5ss,12ss)-; 5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14-TRIHYDROXY-; 3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide; 3beta,12beta,14-Trihydroxy-5beta,20(22)-cardenolide; 3-beta,12,14-Trioxy-carden-(20:22)-olid [German]; 3-beta,12-beta,14-Trihydroxy-card-20(22)-enolide; Cardogenen-(20:22)-triol-(3-beta,12,14) [German]; 3-beta,12,14-Trioxy-digen-(20:22)-olid [German]; 5beta,20(22)-Cardenolide-3beta,12beta,14-triol; 5-18-04-00380 (Beilstein Handbook Reference); 3-beta,12,14-Trioxy-carden-(20:22)-olid; CARDOGENEN-(20:22)-TRIOL-(3-beta,12,14); 3-beta,12,14-Trioxy-digen-(20:22)-olid; Digoxigenin, analytical standard; DIGOXIN IMPURITY C [EP IMPURITY]; SHIBSTMRCDJXLN-KCZCNTNESA-N; DIGOXIGENIN [HSDB]; Prestwick2_000883; Prestwick0_000883; Prestwick3_000883; Prestwick1_000883; DIGOXIGENIN [MI]; UNII-NQ1SX9LNAU; Lanadigigenin; BPBio1_000734; Digoxigenine; Tox21_303893; Lanadigenin; Digoxigenin; NQ1SX9LNAU; ST 23:3;O5; 1lke; 4j8t; 4j9a



数据库引用编号

49 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)

18 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

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