Chaparrinone (BioDeep_00000006957)

PANOMIX_OTCML-2023 natural product

代谢物信息卡片

Picras-3-ene-2,16-dione,11,20-epoxy-1,11,12-trihydroxy-, (1b,11b,12a)- (9CI)

化学式: C20H26O7 (378.1678)
中文名称: 查杷任酮
谱图信息: 最多检出来源 Astragalus membranaceus(otcml) 72.22%

分子结构信息

SMILES: CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)CC3C(C)C(O)C4(O)OCC13C42
InChI: InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1

描述信息

同义名列表

4 个代谢物同义名

Picras-3-ene-2,16-dione,11,20-epoxy-1,11,12-trihydroxy-, (1b,11b,12a)- (9CI); Chaparrinone; NSC-288754; Chaparrinone

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:3578
KEGG: C08757
PubChem: 73154
PubChem: 324240
Metlin: METLIN67176
ChEMBL: CHEMBL472016
CAS: 22611-34-3
PMhub: MS000020165
PubChem: 10950
KNApSAcK: C00003707
3DMET: B02382
NIKKAJI: J34.227K
RefMet: Chaparrinone
KNApSAcK: 3578
LOTUS: LTS0155001

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)

31 个相关的物种来源信息

23809 - Ailanthus: LTS0155001
23810 - Ailanthus altissima: 10.1016/0031-9422(90)80028-F
23810 - Ailanthus altissima: 10.1016/S0021-9673(01)91641-3
23810 - Ailanthus altissima: 10.1246/BCSJ.56.3683
459110 - Ailanthus triphysa: 10.1016/0031-9422(94)85104-2
459115 - Castela: LTS0155001
459117 - Castela erecta: LTS0155001
2865634 - Castela texana: LTS0155001
459119 - Castela tortuosa:
459119 - Castela tortuosa: 10.1016/0031-9422(92)83489-L
459119 - Castela tortuosa: 10.1021/JF00054A056
459119 - Castela tortuosa: 10.1080/10826079208016352
459119 - Castela tortuosa: LTS0155001
2759 - Eukaryota: LTS0155001
458530 - Eurycoma: LTS0155001
459124 - Hannoa: LTS0155001
459125 - Hannoa chlorantha: 10.1016/S0020-7519(98)00008-3
459125 - Hannoa chlorantha: 10.1021/NP50100A024
459125 - Hannoa chlorantha: LTS0155001
459148 - Homalolepis cedron: 10.1021/NP980023F
3398 - Magnoliopsida: LTS0155001
43724 - Quassia: LTS0155001
1899180 - Quassia undulata:
43727 - Samadera bidwillii: 10.1016/S0305-1978(99)00042-3
43726 - Simaba: LTS0155001
459154 - Simaba orinocensis: 10.1021/NP50026A015
459154 - Simaba orinocensis: LTS0155001
23808 - Simaroubaceae: LTS0155001
35493 - Streptophyta: LTS0155001
58023 - Tracheophyta: LTS0155001
33090 - Viridiplantae: LTS0155001

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。

亚细胞结构定位		关联基因列表

文献列表

Yan Wang, Wen-Jing Wang, Chang Su, Dong-Mei Zhang, Li-Peng Xu, Rong-Rong He, Lei Wang, Jian Zhang, Xiao-Qi Zhang, Wen-Cai Ye. Cytotoxic quassinoids from Ailanthus altissima. Bioorganic & medicinal chemistry letters. 2013 Feb; 23(3):654-7. doi: 10.1016/j.bmcl.2012.11.116. [PMID: 23290052]
A Ozeki, Y Hitotsuyanagi, E Hashimoto, H Itokawa, K Takeya, S de Mello Alves. Cytotoxic quassinoids from Simaba cedron. Journal of natural products. 1998 Jun; 61(6):776-80. doi: 10.1021/np980023f. [PMID: 9644063]
G François, C Diakanamwa, G Timperman, G Bringmann, T Steenackers, G Atassi, M Van Looveren, J Holenz, J P Tassin, L A Assi, R Vanhaelen-Fastre, M Vanhaelen. Antimalarial and cytotoxic potential of four quassinoids from Hannoa chlorantha and Hannoa klaineana, and their structure-activity relationships. International journal for parasitology. 1998 Apr; 28(4):635-40. doi: 10.1016/s0020-7519(98)00008-3. [PMID: 9602388]
D J Morré, H Zeichhardt, H G Maxeiner, H P Grünert, D Sawitzky, P Grieco. Effect of the quassinoids glaucarubolone and simalikalactone D on growth of cells permanently infected with feline and human immunodeficiency viruses and on viral infections. Life sciences. 1998; 62(3):213-9. doi: 10.1016/s0024-3205(97)01089-8. [PMID: 9488099]
M Arisawa, A D Kinghorn, G A Cordell, N R Farnsworth. Plant anticancer agents. XXIII. 6 alpha-senecioyloxychaparrin, a new antileukemic quassinoid from Simaba multiflora. Journal of natural products. 1983 Mar; 46(2):218-21. doi: 10.1021/np50026a015. [PMID: 6875576]
E H Kass. Bacterial antigen in the kidney. The New England journal of medicine. 1969 Dec; 281(25):1420-1. doi: 10.1056/nejm196912182812510. [PMID: 5355457]