2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid (BioDeep_00000844145)

代谢物信息卡片

2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

化学式: C15H24O3 (252.1725354)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC12CCCC(C1CC(CC2)C(=C)C(=O)O)(C)O
InChI: InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11-,12-,14-,15-/m1/s1

描述信息

同义名列表

1 个代谢物同义名

2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

数据库引用编号

5 个数据库交叉引用编号

ChEBI: CHEBI:181639
PubChem: 11876195
ChEMBL: CHEMBL408129
CAS: 1268477-79-7
CAS: 4586-68-9

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)

19 个相关的物种来源信息

1532790 Dittrichia graveolens:
56525 Dittrichia viscosa: 10.1021/NP50086A007
441199 Laggera crispata:
313968 Laggera pterodonta:
1458965 Chiliadenus montanus: 10.1016/0031-9422(90)85296-R
114189 Iva frutescens: 10.1016/S0031-9422(97)00583-9
1548345 Heterocoma ekmaniana: 10.1016/S0031-9422(00)95289-0
1548622 Tessaria absinthioides: 10.1016/S0031-9422(96)00590-0
441197 Laggera alata: 10.1021/NP0205856
401927 Artemisia phaeolepis: 10.1021/NP50116A023
206550 Artemisia biennis: 10.1016/S0031-9422(00)84708-1
72354 Artemisia tournefortiana: 10.1016/S0031-9422(00)84708-1
1873171 Iva axillaris: 10.1021/NP50034A032
2604036 Flourensia oolepis: 10.1016/0031-9422(79)80148-X
2067526 Ambrosia ilicifolia: 10.1021/JO01343A501
175519 Pluchea sagittalis: 10.1016/S0031-9422(97)00556-6
1903237 Artemisia vachanica: 10.1007/BF00563694
1873154 Ambrosia salsola: 10.1016/S0031-9422(00)85830-6
1903227 Artemisia scotina: 10.1007/BF00565811

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

Xing Wang, Xia Peng, Chunping Tang, Shuaizhen Zhou, Chang-Qiang Ke, Yueling Liu, Sheng Yao, Jing Ai, Yang Ye. Anti-inflammatory Eudesmane Sesquiterpenoids from Artemisia hedinii. Journal of natural products. 2021 05; 84(5):1626-1637. doi: 10.1021/acs.jnatprod.1c00177. [PMID: 34009985]
Mohamed Zaki, Mohamed Akssira, Sabine Berteina-Raboin. Modification of Natural Eudesmane Scaffolds via Mizoroki-Heck Reactions. Molecules (Basel, Switzerland). 2017 Apr; 22(4):. doi: 10.3390/molecules22040652. [PMID: 28425951]
Barakat E Abu Irmaileh, Amal M F Al-Aboudi, Musa H Abu Zarga, Firas Awwadi, Salim F Haddad. Selective phytotoxic activity of 2,3,11β,13-tetrahydroaromaticin and ilicic acid isolated from Inula graveolens. Natural product research. 2015; 29(10):893-8. doi: 10.1080/14786419.2014.955489. [PMID: 25190268]
Qun Xiong Zheng, Zhao Jun Xu, Xian Feng Sun, Françoise Guéritte, Michele Cesario, Han Dong Sun, Christopher H K Cheng, Xiao-Jiang Hao, Yu Zhao. Eudesmane derivatives and other sesquiterpenes from Laggera alata. Journal of natural products. 2003 Aug; 66(8):1078-81. doi: 10.1021/np0205856. [PMID: 12932128]
V Hernández, M del Carmen Recio, S Máñez, J M Prieto, R M Giner, J L Ríos. A mechanistic approach to the in vivo anti-inflammatory activity of sesquiterpenoid compounds isolated from Inula viscosa. Planta medica. 2001 Nov; 67(8):726-31. doi: 10.1055/s-2001-18342. [PMID: 11731914]
S Máñez, M C Recio, I Gil, C Gómez, R M Giner, P G Waterman, J L Ríos. A glycosyl analogue of diacylglycerol and other antiinflammatory constituents from Inula viscosa. Journal of natural products. 1999 Apr; 62(4):601-4. doi: 10.1021/np980132u. [PMID: 10217718]