(+)-Dehydrovomifoliol (BioDeep_00000000814)

 

Secondary id: BioDeep_00000014739, BioDeep_00000279411, BioDeep_00000867069, BioDeep_00001867554, BioDeep_00001869477

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one;(6S)-6-hydroxy-3-oxo-alpha-ionone

化学式: C13H18O3 (222.1255878)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 0.08%

分子结构信息

SMILES: C1(CC(C)(C)[C@](O)(C(C)=C1)/C=C/C(C)=O)=O
InChI: InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1

描述信息

(+)-dehydrovomifoliol, also known as (6s)-6-hydroxy-3-oxo-alpha-ionone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, (+)-dehydrovomifoliol is considered to be an isoprenoid lipid molecule (+)-dehydrovomifoliol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-dehydrovomifoliol can be found in rice, which makes (+)-dehydrovomifoliol a potential biomarker for the consumption of this food product.
(6S)-dehydrovomifoliol is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol.
Dehydrovomifoliol is a natural product found in Psychotria correae, Dendrobium loddigesii, and other organisms with data available.

同义名列表

30 个代谢物同义名

(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one;(6S)-6-hydroxy-3-oxo-alpha-ionone; 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-, (4S)-; 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-, (4S)-; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one; (4S)-4-Hydroxy-3,5,5-trimethyl-4-((1E)-3-oxo-1-buten-1-yl)-2-cyclohexen-1-one; 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, (S-(E))-; 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, [S-(E)]-; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(Z)-3-oxobut-1-enyl]cyclohex-2-en-1-one; (4S)-4-Hydroxy-3,5,5-trimethyl-4-[3-oxobut-1-en-1-yl]cyclohex-2-en-1-one; (S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone; (6S)-6-hydroxy-3-oxo-alpha-ionone; (6R)-6-hydroxy-3-oxo-alpha-ionone; (6S)-6-Hydroxy-3-oxo-α-ionone; (6S)-6-Hydroxy-3-oxo-a-ionone; (6R)-6-Hydroxy-3-oxo-α-ionone; (6R)-6-Hydroxy-3-oxo-a-ionone; JJRYPZMXNLLZFH-URWSZGRFSA-N; (+)-(S)-Dehydrovomifoliol; 1-HYDROXY-4-KETO-2-IONONE; (S)-(+)-Dehydrovomifoliol; Dehydrovomifoliol, (S)-; Dehydrovomifoliol, (+)-; (Rac)-Dehydrovomifoliol; (6S)-dehydrovomifoliol; (+)-Dehydrovomifoliol; Dehydrovomifoliol; UNII-3J9E6P8K84; 3J9E6P8K84



数据库引用编号

17 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

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)

34 个相关的物种来源信息

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

  • Oleg S Yuzikhin, Natalia E Gogoleva, Alexander I Shaposhnikov, Tatyana A Konnova, Elena V Osipova, Darya S Syrova, Elena A Ermakova, Valerii P Shevchenko, Igor Yu Nagaev, Konstantin V Shevchenko, Nikolay F Myasoedov, Vera I Safronova, Alexey L Shavarda, Anton A Nizhnikov, Andrey A Belimov, Yuri V Gogolev. Rhizosphere Bacterium Rhodococcus sp. P1Y Metabolizes Abscisic Acid to Form Dehydrovomifoliol. Biomolecules. 2021 02; 11(3):. doi: 10.3390/biom11030345. [PMID: 33668728]
  • Yulin Ren, Gerardo D Anaya-Eugenio, Austin A Czarnecki, Tran Ngoc Ninh, Chunhua Yuan, Hee-Byung Chai, Djaja D Soejarto, Joanna E Burdette, Esperanza J Carcache de Blanco, A Douglas Kinghorn. Cytotoxic and NF-κB and mitochondrial transmembrane potential inhibitory pentacyclic triterpenoids from Syzygium corticosum and their semi-synthetic derivatives. Bioorganic & medicinal chemistry. 2018 08; 26(15):4452-4460. doi: 10.1016/j.bmc.2018.07.025. [PMID: 30057155]
  • Hyo Hee Yang, Kyung-Eon Oh, Yang Hee Jo, Jong Hoon Ahn, Qing Liu, Ayman Turk, Jae Young Jang, Bang Yeon Hwang, Ki Yong Lee, Mi Kyeong Lee. Characterization of tyrosinase inhibitory constituents from the aerial parts of Humulus japonicus using LC-MS/MS coupled online assay. Bioorganic & medicinal chemistry. 2018 01; 26(2):509-515. doi: 10.1016/j.bmc.2017.12.011. [PMID: 29254897]
  • Nina Corlay, Leen Delang, Emmanuelle Girard-Valenciennes, Johan Neyts, Patricia Clerc, Jacqueline Smadja, Françoise Guéritte, Pieter Leyssen, Marc Litaudon. Tigliane diterpenes from Croton mauritianus as inhibitors of chikungunya virus replication. Fitoterapia. 2014 Sep; 97(?):87-91. doi: 10.1016/j.fitote.2014.05.015. [PMID: 24879904]
  • Jong Hoon Ahn, Eun Sil Kim, Chul Lee, Soonok Kim, Soo-Hyun Cho, Bang Yeon Hwang, Mi Kyeong Lee. Chemical constituents from Nelumbo nucifera leaves and their anti-obesity effects. Bioorganic & medicinal chemistry letters. 2013 Jun; 23(12):3604-8. doi: 10.1016/j.bmcl.2013.04.013. [PMID: 23642481]
  • Xue-Song Li, Xiao-Jiang Zhou, Xing-Jie Zhang, Jia Su, Xue-Jing Li, Yong-Ming Yan, Yong-Tang Zheng, Yan Li, Liu-Meng Yang, Yong-Xian Cheng. Sesquiterpene and norsesquiterpene derivatives from Sanicula lamelligera and their biological evaluation. Journal of natural products. 2011 Jun; 74(6):1521-5. doi: 10.1021/np200146x. [PMID: 21561060]
  • Cheng-Wu Fang, Jia-Jia Chen, Shou-Jin Liu. [Studies on the chemical constituents of rhizoma of Coniogramme japonica]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2010 Apr; 33(4):557-9. doi: ". [PMID: 20845785]
  • Lip Yong Chung, Mee Wah Lo, Muhammad Rais Mustafa, Swee Hock Goh, Zamrie Imiyabir. 5-Hydroxytryptamine2A receptor binding activity of compounds from Litsea sessilis. Phytotherapy research : PTR. 2009 Mar; 23(3):330-4. doi: 10.1002/ptr.2627. [PMID: 18844258]
  • H J Zhang, P A Tamez, D H Vu, T T Ghee, V H Nguyen, T X Le, M H Le, M C Nguyen, T T Do, D D Soejarto, H H Fong, J M Pezzuto. Antimalarial compounds from Rhaphidophora decursiva. Journal of natural products. 2001 Jun; 64(6):772-7. doi: 10.1021/np010037c. [PMID: 11421741]