Fukinanolid (BioDeep_00000000955)

PANOMIX_OTCML-2023

代谢物信息卡片

SPIRO(FURAN-3(2H),2-(2H)INDEN)-2-ONE, DECAHYDRO-3A,4-DIMETHYL-4-METHYLENE-, (2R-(2.ALPHA.,3A.ALPHA.,4.ALPHA.,7A.ALPHA.))-

化学式: C15H22O2 (234.1619712)
中文名称: 蜂斗菜内酯A, 蜂斗菜内酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 33.33%

分子结构信息

SMILES: C=C1COC(=O)C12CC1CCCC(C)C1(C)C2
InChI: InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3/t10-,12+,14+,15+/m0/s1

描述信息

Bakkenolide A is a sesquiterpenoid.
Bakkenolide A is a natural product found in Camptacra gracilis, Parasenecio hastatus, and other organisms with data available.
See also: Petasites hybridus root (part of).
Bakkenolide A is a natural product extracted from Petasites tricholobus. Bakkenolide A inhibits leukemia by regulation of HDAC3 and PI3K/Akt-related signaling pathways[1].

同义名列表

16 个代谢物同义名

SPIRO(FURAN-3(2H),2-(2H)INDEN)-2-ONE, DECAHYDRO-3A,4-DIMETHYL-4-METHYLENE-, (2R-(2.ALPHA.,3A.ALPHA.,4.ALPHA.,7A.ALPHA.))-; Spiro(furan-3(2H),2-(2H)inden)-2-one, decahydro-3a,4-dimethyl-4-methylene-, (2R-(2alpha,3aalpha,4alpha,7aalpha))-; SPIRO(FURAN-3(2H),2-INDAN)-2-ONE, 3A,4,4,5,5,6,7,7A.BETA.-OCTAHYDRO-3A.BETA.,4.BETA.-DIMETHYL-4-METHYLENE-, (2R)-; Spiro(furan-3(2H),2-indan)-2-one, 3a,4,4,5,5,6,7,7abeta-octahydro-3abeta,4beta-dimethyl-4-methylene-, (2R)-; (2R,3aR,7S,7aR)-7,7a-dimethyl-4-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3-oxolane]-2-one; SPIRO(FURAN-3(2H),2-(2H)INDEN)-2-ONE, DECAHYDRO-3A,4-DIMETHYL-4-METHYLENE-, (2R,3AR,4S,7AR)-; BAKKENOLIDE A, (+)-; (+)-Bakkenolide A; ( )-Bakkenolide A; UNII-T86ZPP5FMQ; Bakkenolide A; FUKINANOLIDE; Bakkenolid A; Fukinanolid; BAKKENOLIDE; T86ZPP5FMQ

数据库引用编号

14 个数据库交叉引用编号

ChEBI: CHEBI:2984
KEGG: C09350
PubChem: 442173
Metlin: METLIN67623
MeSH: bakkenolide A
ChemIDplus: 0019906720
CAS: 19906-72-0
medchemexpress: HY-N6017
PMhub: MS000020642
PubChem: 11541
KNApSAcK: C00003225
3DMET: B02887
NIKKAJI: J16.122E
RefMet: Bakkenolide A

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)

13 个相关的物种来源信息

119773 - Camptacra gracilis: 10.1016/J.TET.2008.06.077
462409 - Dolichorrhiza persica: 10.1016/0031-9422(91)83641-W
430993 - Hertia cheirifolia: 10.1016/0031-9422(91)85074-A
257033 - Homogyne alpina:
186953 - Ligularia dolichobotrys: 10.1016/S0031-9422(97)00493-7
711536 - Ligularia intermedia: 10.1016/S0031-9422(97)00150-7
262735 - Ligularia kanaitzensis: 10.1016/J.TET.2008.02.036
217502 - Ligularia sagitta: 10.1016/0031-9422(92)80383-P
262737 - Ligularia subspicata: 10.1016/J.TET.2008.06.077
1500521 - Parasenecio hastatus:
904458 - Petasites albus:
98710 - Petasites frigidus var. palmatus: 10.1016/0031-9422(89)80350-4
33090 - Plants: -

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

Lixia Pei, Dongmei Dai, Yuanwu Bao, Feng Chen, Jin Zheng, Ji Li, Sheng Liu, Xiuping Chen. Determination of bakkenolide A in rat plasma using liquid chromatography/tandem mass spectrometry and its application to a pharmacokinetic study. Journal of mass spectrometry : JMS. 2012 Aug; 47(8):962-8. doi: 10.1002/jms.3042. [PMID: 22899504]
Shou-jin Liu, Mian Zhang, Zheng-tao Wang, Jian-qun Liu, Chao-feng Zhang. [Terpenoid compounds isolated from Ligularia sagitta]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2006 Dec; 31(23):1965-7. doi: . [PMID: 17348191]
X Z Luo, J G Yu, L Z Xu, S L Yang, J D Feng, S L Ou. [Chemical constituents in volatile oil from fruits of Alpinia oxyphylla Miq]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2001 Apr; 26(4):262-4. doi: . [PMID: 12525051]