Oplodiol (BioDeep_00000265686)

PANOMIX_OTCML-2023

代谢物信息卡片

[1S-(1alpha,4alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1,4-naphthalenediol

化学式: C15H26O2 (238.1932696)
中文名称: (1S,4R,4AR,8AR)-1,2,3,4,4A,5,8,8A-八氢-1,4A-二甲基-7-(1-甲基乙基)-1,4-二羟基萘
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(C)C1=CCC2(C(CCC(C2C1)(C)O)O)C
InChI: InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13-,14-,15+/m1/s1

描述信息

Oplodiol is a carbobicyclic compound that is 1,2,3,4,4a,5,8,8a-octahydronaphthalene which is substituted by hydroxy groups at positions 1 and 4, an isoopropyl group at position 7, and by methyl groups at positions 1 and 4a (the 1S,4R,4aR,8aR isomer). A sesquiterpenoid plant metabolite. It has a role as a plant metabolite. It is a tertiary alcohol, a secondary alcohol, a carbobicyclic compound, a sesquiterpenoid and a member of octahydronaphthalenes.
Oplodiol is a natural product found in Hedychium spicatum, Schisandra plena, and other organisms with data available.
A carbobicyclic compound that is 1,2,3,4,4a,5,8,8a-octahydronaphthalene which is substituted by hydroxy groups at positions 1 and 4, an isoopropyl group at position 7, and by methyl groups at positions 1 and 4a (the 1S,4R,4aR,8aR isomer). A sesquiterpenoid plant metabolite.

同义名列表

9 个代谢物同义名

[1S-(1alpha,4alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1,4-naphthalenediol; 1,4-Naphthalenediol, 1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1S,4R,4aR,8aR)-; (1S,4R,4aR,8aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,4-diol; (1S)-1,2,3,4,4A,5,8,8AALPHA-OCTAHYDRO-1,4ABETA-DIMETHYL-7-ISOPROPYL-1,4BETA-NAPHTHALENEDIOL; (1S,4R,4aR,8aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,4-diol; (1R,4S,4aR,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene-1,4-diol; 1,4a-Dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,4-diol; (-)-Oplodiol; Oplodiol

数据库引用编号

13 个数据库交叉引用编号

ChEBI: CHEBI:132903
PubChem: 12313756
PubChem: 12313755
ChEMBL: CHEMBL465432
MeSH: oplodiol
ChemIDplus: 0013902620
KNApSAcK: C00012788
CAS: 11046-45-0
CAS: 13902-62-0
medchemexpress: HY-N3130
PMhub: MS000156128
PMhub: MS000073239
MetaboLights: MTBLC132903

分类词条

倍半萜类

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)

17 个相关的物种来源信息

223868 - Artemisia japonica: 10.1007/BF02978255
13419 - Chimonanthus praecox: 10.1016/J.PHYTOL.2011.04.012
146543 - Chloranthus serratus: 10.1016/J.PHYTOL.2016.01.005
3369 - Cryptomeria japonica: 10.1016/0031-9422(95)00013-W
1804071 - Homalomena aromatica: 10.1016/0031-9422(92)83719-F
714477 - Homalomena occulta:
145286 - Illicium oligandrum: 10.1080/10286020.2015.1039524
983224 - Liatris microcephala: 10.1016/S0031-9422(00)84035-2
86725 - Magnolia biondii: 10.1007/BF02976201
133948 - Oplopanax japonicus: 10.1039/J39670000423
44685 - Panax japonicus: 10.1039/J39670000423
1815966 - Petasites tatewakianus: 10.1007/S10600-011-0082-3
211592 - Pulicaria paludosa: 10.1016/S0031-9422(00)98074-9
376570 - Renealmia cincinnata: 10.1016/S0031-9422(99)00344-1
133444 - Schisandra plena: 10.1080/1028602042000204045
2841764 - Senecio adenophyllus: 10.1016/S0031-9422(00)95204-X
13708 - Tagetes erecta: 10.1007/S10600-011-9905-5

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

Jing Xu, Meicheng Wang, Xiaocong Sun, Quanhui Ren, Xiangrong Cao, Shen Li, Guochen Su, Muhetaer Tuerhong, Dongho Lee, Yasushi Ohizumi, Mark Bartlam, Yuanqiang Guo. Bioactive Terpenoids from Salvia plebeia: Structures, NO Inhibitory Activities, and Interactions with iNOS. Journal of natural products. 2016 11; 79(11):2924-2932. doi: 10.1021/acs.jnatprod.6b00733. [PMID: 27933899]
Wei Sun, Yi-Sheng He, Ling-Hui Xu, Bi-Ying Zhang, Lian-Wen Qi, Jie Yang, Ping Li, Xiao-Dong Wen. Pharmacokinetic profiles of falcarindiol and oplopandiol in rats after oral administration of polyynes extract of Oplopanax elatus. Chinese journal of natural medicines. 2016 Sep; 14(9):714-720. doi: 10.1016/s1875-5364(16)30085-1. [PMID: 27667518]
Wolfgang Schühly, Jeannette Skarbina, Olaf Kunert, Owi I Nandi, Rudolf Bauer. Chemical characterization of Magnolia biondii (Flos Magnoliae, Xin Yi). Natural product communications. 2009 Feb; 4(2):231-4. doi: ". [PMID: 19370929]
Yi-Fen Wang, Xian-You Wang, Guo-Fang Lai, Chun-Hua Lu, Shi-De Luo. Three new sesquiterpenoids from the aerial parts of Homalomena occulta. Chemistry & biodiversity. 2007 May; 4(5):925-31. doi: 10.1002/cbdv.200790081. [PMID: 17511005]
Yong-mei Hu, Zhong-lin Yang, Wen-cai Ye, Qi-hou Chong. [Studies on the constituents in rhizome of Homalomena occuta]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2003 Apr; 28(4):342-4. doi: ". [PMID: 15139145]
Jian-Qiao Gu, Eun Jung Park, Jose Schunke Vigo, James G Graham, Harry H S Fong, John M Pezzuto, A Douglas Kinghorn. Activity-guided isolation of constituents of Renealmia nicolaioides with the potential to induce the phase II enzyme quinone reductase. Journal of natural products. 2002 Nov; 65(11):1616-20. doi: 10.1021/np020249p. [PMID: 12444686]