15764-81-5 (BioDeep_00000867069)

PANOMIX_OTCML-2023

代谢物信息卡片

(4S)-4-hydroxy-4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one

化学式: C13H18O3 (222.1255878)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C
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

同义名列表

7 个代谢物同义名

(4S)-4-hydroxy-4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-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-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone; Dehydrovomifoliol; ZINC00057359; 15764-81-5; C02533

数据库引用编号

10 个数据库交叉引用编号

ChEBI: CHEBI:4372
KEGG: C02533
PubChem: 688492
ChEMBL: CHEMBL461278
CAS: 39763-33-2
CAS: 15764-81-5
PubChem: 5540
LipidMAPS: LMPR0103050009
KNApSAcK: C00029298
NIKKAJI: J14.882B

分类词条

醇类

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)

67 个相关的物种来源信息

33090 石见穿: -
33090 葛花: -
36596 Prunus armeniaca: 10.1021/JF00004A032
3758 Prunus domestica: 10.1021/JF00004A032
3760 Prunus persica: 10.1021/JF00004A032
16752 Houttuynia cordata: 10.1248/CPB.57.1227
3885 Phaseolus vulgaris: 10.1246/BCSJ.60.981
29760 Vitis vinifera:
4432 Nelumbo nucifera: 10.1016/J.BMCL.2013.04.013
84533 Sanicula lamelligera: 10.1021/NP200146X
28513 Salvia divinorum:
3659 Cucumis sativus:
145819 Mantisalca salmantica: 10.1016/0031-9422(93)85349-V
258281 Rhaphidophora decursiva: 10.1021/NP010037C
318066 Tridax procumbens: 10.1139/V08-097
405319 Piper sarmentosum: 10.1021/JF071963L
247689 Piper lolot: 10.1021/JF071963L
117954 Dendrobium loddigesii: 10.1248/CPB.58.628
1129518 Psychotria correae: 10.1016/0031-9422(94)00823-C
4232 Helianthus annuus:
180010 Stachys byzantina: 10.1021/NP8001805
154990 Euphorbia helioscopia:
458696 Tripterygium wilfordii: 10.1016/J.FITOTE.2019.104190
123485 Tripterygium regelii: 10.1016/J.FITOTE.2019.104190
3559 Chenopodium album: 10.1021/NP049857Q
56523 Buphthalmum salicifolium: 10.1016/S0031-9422(99)00082-5
2861340 Pontederia africana: 10.1002/JCCS.200400035
424420 Salvia chinensis: 10.1248/CPB.56.843
73292 Helianthus heterophyllus: 10.1016/S0031-9422(00)81173-5
156996 Dictyopteris divaricata: 10.1021/NP040099D
54672 Euphorbia lagascae: 10.1021/OL062854F
126903 Physalis peruviana: 10.1002/HLCA.200900005
230192 Solanum lyratum: 10.1248/CPB.57.408
187461 Chamaecyparis formosensis: 10.3390/MOLECULES23030604
36596 Prunus armeniaca: 10.1021/JF00004A032
3758 Prunus domestica: 10.1021/JF00004A032
3760 Prunus persica: 10.1021/JF00004A032
16752 Houttuynia cordata: 10.1248/CPB.57.1227
3885 Phaseolus vulgaris: 10.1246/BCSJ.60.981
29760 Vitis vinifera:
4432 Nelumbo nucifera: 10.1016/J.BMCL.2013.04.013
84533 Sanicula lamelligera: 10.1021/NP200146X
28513 Salvia divinorum:
3659 Cucumis sativus:
145819 Mantisalca salmantica: 10.1016/0031-9422(93)85349-V
258281 Rhaphidophora decursiva: 10.1021/NP010037C
318066 Tridax procumbens: 10.1139/V08-097
405319 Piper sarmentosum: 10.1021/JF071963L
247689 Piper lolot: 10.1021/JF071963L
117954 Dendrobium loddigesii: 10.1248/CPB.58.628
1129518 Psychotria correae: 10.1016/0031-9422(94)00823-C
4232 Helianthus annuus:
180010 Stachys byzantina: 10.1021/NP8001805
154990 Euphorbia helioscopia:
458696 Tripterygium wilfordii: 10.1016/J.FITOTE.2019.104190
123485 Tripterygium regelii: 10.1016/J.FITOTE.2019.104190
3559 Chenopodium album: 10.1021/NP049857Q
56523 Buphthalmum salicifolium: 10.1016/S0031-9422(99)00082-5
2861340 Pontederia africana: 10.1002/JCCS.200400035
424420 Salvia chinensis: 10.1248/CPB.56.843
73292 Helianthus heterophyllus: 10.1016/S0031-9422(00)81173-5
156996 Dictyopteris divaricata: 10.1021/NP040099D
54672 Euphorbia lagascae: 10.1021/OL062854F
126903 Physalis peruviana: 10.1002/HLCA.200900005
230192 Solanum lyratum: 10.1248/CPB.57.408
187461 Chamaecyparis formosensis: 10.3390/MOLECULES23030604
569774 金线莲: -

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]