Barringtogenol C (BioDeep_00000007062)

Secondary id: BioDeep_00000868902, BioDeep_00001869606, BioDeep_00001890869

human metabolite PANOMIX_OTCML-2023 Endogenous

代谢物信息卡片

4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol

化学式: C30H50O5 (490.365805)
中文名称: 玉蕊皂苷元C
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.56%

分子结构信息

SMILES: CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O
InChI: InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3

描述信息

Sapogenin from Thea sinensis (tea). Barringtogenol C is found in tea.
Barringtogenol C is found in tea. Sapogenin from Thea sinensis (tea

同义名列表

16 个代谢物同义名

4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol; 4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol; 22-O-Acetyl-21-O-(4-O-angeloyl)-beta-D-fucopyranosyl theasapogenol b; Olean-12-ene-3beta,16alpha,21beta,22alpha,28-pentol; Proschiwalligenin PB1; Giganteumgenin m; barringtogenol C; Saniculagenin D; Jegosapogenol a; Theasapogenol b; Barrigenol R2; Jegosapogenol; Careyagenol a; Acutangenol b; Aescinidin; Escinidin

数据库引用编号

17 个数据库交叉引用编号

ChEBI: CHEBI:2994
KEGG: C08931
PubChem: 185465
PubChem: 435277
HMDB: HMDB0034525
Metlin: METLIN67280
ChEMBL: CHEMBL487606
KNApSAcK: C00003505
foodb: FDB013026
chemspider: 384949
CAS: 107204-06-8
CAS: 13844-01-4
CAS: 17304-24-4
PMhub: MS000020311
PubChem: 11123
3DMET: B02536
NIKKAJI: J82.279E

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

43364 - Aesculus hippocastanum: 10.1021/NP50046A015
531823 - Aesculus indica: 10.3109/13880208709060921
107821 - Barringtonia racemosa: 10.1021/NP8007396
385388 - Camellia oleifera: 10.1016/S0040-4039(00)90650-6
182300 - Camellia sasanqua: 10.1016/S0040-4039(00)90650-6
4442 - Camellia sinensis: 10.1016/S0040-4039(00)90650-6
151065 - Dodonaea viscosa: 10.1002/BSCB.19850940212
9606 - Homo sapiens: -
554380 - Hydrocotyle ranunculoides:
1382142 - Planchonia careya: 10.1071/CH9771311
4081 - Solanum lycopersicum: 10.3390/MOLECULES23123330

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

Ping Wang, Stacy Ownby, Zhizhen Zhang, Wei Yuan, Shiyou Li. Cytotoxicity and inhibition of DNA topoisomerase I of polyhydroxylated triterpenoids and triterpenoid glycosides. Bioorganic & medicinal chemistry letters. 2010 May; 20(9):2790-6. doi: 10.1016/j.bmcl.2010.03.063. [PMID: 20371180]
Wei Li, Xian Li, Jia Yang, Lin-Hao Li, Ning Li, Da-Li Meng. Two new triterpenoids from the carpophore of Xanthoceras sorbifolia Bunge. Die Pharmazie. 2006 Sep; 61(9):810-1. doi: . [PMID: 17020166]