Cucurbitacin A (BioDeep_00000227459)

human metabolite natural product

代谢物信息卡片

[(E)-6-[2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate

化学式: C32H46O9 (574.3141666)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](C(=O)C4(C)C)O)[C@]3(CO)C(=O)C[C@]12C)O)O
InChI: InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+

描述信息

Cucurbitacin a is a member of the class of compounds known as cucurbitacins. Cucurbitacins are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Cucurbitacin a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cucurbitacin a can be found in cucumber, which makes cucurbitacin a a potential biomarker for the consumption of this food product.

同义名列表

3 个代谢物同义名

[(E)-6-[2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; (3E)-6-[4,13-dihydroxy-1-(hydroxymethyl)-6,6,11,15-tetramethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate; Cucurbitacin A

数据库引用编号

6 个数据库交叉引用编号

PubChem: 5903498
HMDB: HMDB0302593
Wikipedia: Cucurbitacin
foodb: FDB005284
RefMet: Cucurbitacin A
LOTUS: LTS0174764

分类词条

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)

33 个相关的物种来源信息

7458 - Apidae: LTS0174764
7459 - Apis: LTS0174764
7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
7461 - Apis cerana: LTS0174764
6656 - Arthropoda: LTS0174764
112816 - Casearia: LTS0174764
681418 - Casearia arborea: 10.1021/NP990553R
681418 - Casearia arborea: LTS0174764
3655 - Cucumis: LTS0174764
3656 - Cucumis melo: 10.1021/NP800692T
3656 - Cucumis melo: LTS0174764
217627 - Cucumis prophetarum: 10.1076/PHBI.40.2.154.5843
217627 - Cucumis prophetarum: LTS0174764
3659 - Cucumis sativus: 10.1021/JF00103A051
3659 - Cucumis sativus: LTS0174764
869827 - Cucumis sativus var. sativus: 10.1021/JF00103A051
869827 - Cucumis sativus var. sativus: LTS0174764
3650 - Cucurbitaceae: LTS0174764
2759 - Eukaryota: LTS0174764
43500 - Hintonia: LTS0174764
43501 - Hintonia latiflora: 10.1016/J.PHYTOCHEM.2007.05.006
43501 - Hintonia latiflora: LTS0174764
128316 - Hintonia standleyana: 10.1016/J.PHYTOCHEM.2007.05.006
128316 - Hintonia standleyana: LTS0174764
9606 - Homo sapiens: -
50557 - Insecta: LTS0174764
3398 - Magnoliopsida: LTS0174764
33208 - Metazoa: LTS0174764
24966 - Rubiaceae: LTS0174764
3688 - Salicaceae: LTS0174764
35493 - Streptophyta: LTS0174764
58023 - Tracheophyta: LTS0174764
33090 - Viridiplantae: LTS0174764

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。