CucurbitacinA (BioDeep_00000000942)

PANOMIX_OTCML-2023

代谢物信息卡片

化学式: C32H46O9 (574.3141666)
中文名称: 葫芦素A
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 14.77%

分子结构信息

SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)CO)C)C)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+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

描述信息

Cucurbitacin A is a cucurbitacin.
Cucurbitacin A is a natural product found in Hintonia standleyana, Cucumis prophetarum, and other organisms with data available.

同义名列表

12 个代谢物同义名

[(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-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]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-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; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2beta,9beta,10alpha,16alpha,23E)-; 19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-,(2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; 19-Nor-9.beta.,23-diene-3,11,22-trione, 2.beta.,16.alpha.,20,25-tetrahydroxy-9-(hydroxymethyl)-,25-acetate, (E)-; 19-Norlanosta-5,11,22-trione, 2,16,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate; Cucurbitacine A; Cucurbitacin A; CucurbitacinA; ST 32:6;O9; Neuro_000042

数据库引用编号

16 个数据库交叉引用编号

ChEBI: CHEBI:3940
KEGG: C08793
PubChem: 5281315
PubChem: 3718818
Metlin: METLIN41666
ChEMBL: CHEMBL455518
LipidMAPS: LMST01010103
ChemIDplus: 0006040193
KNApSAcK: C00003682
CAS: 6040-19-3
medchemexpress: HY-N4175
PMhub: MS000020198
MetaboLights: MTBLC3940
PubChem: 10986
3DMET: B02414
NIKKAJI: J8.336D

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)

11 个相关的物种来源信息

7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
681418 - Casearia arborea: 10.1021/NP990553R
217618 - Cucumis africanus: 10.1021/NP800692T
3656 - Cucumis melo: 10.1021/NP800692T
39474 - Cucumis myriocarpus: 10.1021/NP800692T
39474 - Cucumis myriocarpus: 10.1076/PHBI.40.2.154.5843
217627 - Cucumis prophetarum: 10.1076/PHBI.40.2.154.5843
3659 - Cucumis sativus: 10.1021/JF00103A051
869827 - Cucumis sativus var. sativus: 10.1021/JF00103A051
43501 - Hintonia latiflora: 10.1016/J.PHYTOCHEM.2007.05.006
128316 - Hintonia standleyana: 10.1016/J.PHYTOCHEM.2007.05.006

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

Chuan Chen, Shigao Qiang, Liguang Lou, Weimin Zhao. Cucurbitane-type triterpenoids from the stems of Cucumis melo. Journal of natural products. 2009 May; 72(5):824-9. doi: 10.1021/np800692t. [PMID: 19348465]
E M Mullin, D F Paulson. Renal cystic disease. Urology. 1976 Jul; 8(1):5-8. doi: 10.1016/0090-4295(76)90042-x. [PMID: 941361]