AI3-00667 (BioDeep_00000861767)

PANOMIX_OTCML-2023

代谢物信息卡片

InChI=1\C11H12O2\c1-2-13-11(12)9-8-10-6-4-3-5-7-10\h3-9H,2H2,1H3\b9-8

化学式: C11H12O2 (176.0837252)
中文名称: 反式肉桂酸乙酯, 肉桂酸乙酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCOC(=O)C=CC1=CC=CC=C1
InChI: InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

描述信息

Ethyl cinnamate is a fragrance ingredient used in many fragrance compounds. Ethyl cinnamate is a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues[1][2].
Ethyl cinnamate is a fragrance ingredient used in many fragrance compounds. Ethyl cinnamate is a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues[1][2].

同义名列表

42 个代谢物同义名

InChI=1\C11H12O2\c1-2-13-11(12)9-8-10-6-4-3-5-7-10\h3-9H,2H2,1H3\b9-8; 2-Propenoic acid, 3-phenyl-, ethyl ester, (E)-; (E)-3-phenylprop-2-enoic acid ethyl ester; 2-Propenoic acid, 3-phenyl-, ethyl ester; 3-Phenyl-2-propenoic acid, ethyl ester; 3-phenylprop-2-enoic acid ethyl ester; (E)-3-phenylacrylic acid ethyl ester; 3-Phenyl-acrylic acid, ethyl ester; Ethyl (2E)-3-phenyl-2-propenoate; 3-phenylacrylic acid ethyl ester; ethyl (E)-3-phenylprop-2-enoate; Ethyl 3-phenylprop-2-enoate; Ethyl 3-phenyl-2-propenoate; ethyl (2E)-3-phenylacrylate; Cinnamic acid, ethyl ester; Ethyl cinnamate (natural); CINNAMIC ACID,ETHYL ESTER; Cinnamic acid ethyl ester; Ethyl beta-phenylacrylate; Ethyl 3-phenylpropenoate; Ethyl benzylideneacetate; Ethyl 3-phenylacrylate; Ethyl trans-cinnamate; EINECS 203-104-6; Ethyl cinnamate; W243000_ALDRICH; W243019_ALDRICH; Ethylcinnamoate; Ethylcinnamate; 112372_ALDRICH; FEMA No. 2430; WLN: 2OV1U1R; ZINC00896133; 96350_FLUKA; AIDS-224200; BRN 1238804; AIDS224200; AI3-00667; 103-36-6; NSC 6773; NSC6773; C06359

数据库引用编号

12 个数据库交叉引用编号

ChEBI: CHEBI:4895
KEGG: C06359
PubChem: 637758
ChEMBL: CHEMBL318196
CAS: 856765-68-9
CAS: 4192-77-2
CAS: 103-36-6
PubChem: 8595
KNApSAcK: C00035614
3DMET: B00952
NIKKAJI: J45.977A
medchemexpress: HY-Y0121

分类词条

苯丙素类

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)

44 个相关的物种来源信息

33090 安息香: -
33090 山柰: -
33090 胡椒: -
13428 桂枝: -
328070 Dactylanthus taylorii: 10.1016/0031-9422(95)00403-T
128608 Cinnamomum verum: 10.1021/JF60218A031
54860 Narcissus tazetta: 10.3109/13880209409083015
371859 Opuntia ficus-indica: 10.1021/JF60218A053
137129 Swertia japonica: 10.1246/BCSJ.56.3477
4577 Zea mays: 10.1021/JF60220A012
13750 Vaccinium macrocarpon: 10.3891/ACTA.CHEM.SCAND.21-2076
4726 Pandanus tectorius: 10.1016/S0031-9422(96)00386-X
33117 Mandragora officinarum: 10.1016/J.PHYTOCHEM.2005.07.016
389206 Mandragora autumnalis: 10.1016/J.PHYTOCHEM.2005.07.016
466060 Artemisia salsoloides:
110723 Hedychium spicatum: 10.1016/J.BMCL.2009.09.032
3438 Umbellularia californica: 10.1016/0031-9422(74)85146-0
205369 Artemisia judaica: 10.1016/S0031-9422(00)83196-9
1745512 Galanga: 10.1016/J.PHYMED.2004.07.004
4146 Olea europaea: 10.1016/S0003-2670(00)83825-8
97750 Kaempferia galanga:
54785 Ceanothus velutinus: 10.1002/JPS.3080230411
40145 Tricholoma matsutake: 10.1271/BBB1961.45.373
328070 Dactylanthus taylorii: 10.1016/0031-9422(95)00403-T
128608 Cinnamomum verum: 10.1021/JF60218A031
54860 Narcissus tazetta: 10.3109/13880209409083015
371859 Opuntia ficus-indica: 10.1021/JF60218A053
137129 Swertia japonica: 10.1246/BCSJ.56.3477
4577 Zea mays: 10.1021/JF60220A012
13750 Vaccinium macrocarpon: 10.3891/ACTA.CHEM.SCAND.21-2076
4726 Pandanus tectorius: 10.1016/S0031-9422(96)00386-X
33117 Mandragora officinarum: 10.1016/J.PHYTOCHEM.2005.07.016
389206 Mandragora autumnalis: 10.1016/J.PHYTOCHEM.2005.07.016
466060 Artemisia salsoloides:
110723 Hedychium spicatum: 10.1016/J.BMCL.2009.09.032
3438 Umbellularia californica: 10.1016/0031-9422(74)85146-0
205369 Artemisia judaica: 10.1016/S0031-9422(00)83196-9
1745512 Galanga: 10.1016/J.PHYMED.2004.07.004
4146 Olea europaea: 10.1016/S0003-2670(00)83825-8
97750 Kaempferia galanga:
54785 Ceanothus velutinus: 10.1002/JPS.3080230411
40145 Tricholoma matsutake: 10.1271/BBB1961.45.373
97750 Kaempferia galanga L.: -
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

Siyu Wang, Jianzhan Yang, Xiaolan Kuang, Haoxiang Li, Haifang Du, Yunshan Wu, Fangfang Xu, Bo Liu. Ethyl cinnamate suppresses tumor growth through anti-angiogenesis by attenuating VEGFR2 signal pathway in colorectal cancer. Journal of ethnopharmacology. 2024 May; 326(?):117913. doi: 10.1016/j.jep.2024.117913. [PMID: 38360380]
Paco Noriega, Lissette Calderón, Andrea Ojeda, Erika Paredes. Chemical Composition, Antimicrobial and Antioxidant Bioautography Activity of Essential Oil from Leaves of Amazon Plant Clinopodium brownei (Sw.). Molecules (Basel, Switzerland). 2023 Feb; 28(4):. doi: 10.3390/molecules28041741. [PMID: 36838728]
G Swarna Kumari, Bandi Siva, S Divya Reddy, V Lakshma Nayak, Ashok K Tiwari, Bhattu Ganga Rao, K Suresh Babu. Synthesis and biological evaluation of 1,2,3-triazole hybrids of 4-methoxy ethyl cinnamate isolated from Hedychium spicatum (Sm) rhizomes: identification of antiproliferative lead actives against prostate cancer. Natural product research. 2023 Jan; 37(2):289-295. doi: 10.1080/14786419.2021.1969928. [PMID: 34579616]
Turgay Saritas, Victor G Puelles, Xiao-Tong Su, David H Ellison, Rafael Kramann. Optical Clearing and Imaging of Immunolabeled Kidney Tissue. Journal of visualized experiments : JoVE. 2019 07; ?(149):. doi: 10.3791/60002. [PMID: 31380853]
Jiaguo Huang, Cinzia Brenna, Arif Ul Maula Khan, Cristina Daniele, Rüdiger Rudolf, Vincent Heuveline, Norbert Gretz. A cationic near infrared fluorescent agent and ethyl-cinnamate tissue clearing protocol for vascular staining and imaging. Scientific reports. 2019 01; 9(1):521. doi: 10.1038/s41598-018-36741-1. [PMID: 30679514]
Xiao-Tong Su, Turgay Saritas, David H Ellison. Optical tissue clearing and immunolabeling in kidney research. Methods in cell biology. 2019; 154(?):31-41. doi: 10.1016/bs.mcb.2019.07.001. [PMID: 31493820]
Ahmed Mohammed AlJabr, Abid Hussain, Muhammad Rizwan-Ul-Haq, Hassan Al-Ayedh. Toxicity of Plant Secondary Metabolites Modulating Detoxification Genes Expression for Natural Red Palm Weevil Pesticide Development. Molecules (Basel, Switzerland). 2017 Jan; 22(1):. doi: 10.3390/molecules22010169. [PMID: 28117698]
Li-Li Gao, Pei-Yong Guo, Guang-Ming Su, Yan-Fang Wei. [Effects of allelochemicals ethyl cinnamate on the growth and physiological characteristics of Chlorella pyrenoidosa]. Huan jing ke xue= Huanjing kexue. 2013 Jan; 34(1):156-62. doi: . [PMID: 23487932]
P Prabhakar Reddy, R Ranga Rao, J Shashidhar, B S Sastry, J Madhusudana Rao, K Suresh Babu. Phytochemical investigation of labdane diterpenes from the rhizomes of Hedychium spicatum and their cytotoxic activity. Bioorganic & medicinal chemistry letters. 2009 Nov; 19(21):6078-81. doi: 10.1016/j.bmcl.2009.09.032. [PMID: 19782567]
Linfang Huang, Toru Yagura, Shilin Chen. Sedative activity of hexane extract of Keampferia galanga L. and its active compounds. Journal of ethnopharmacology. 2008 Oct; 120(1):123-5. doi: 10.1016/j.jep.2008.07.045. [PMID: 18761077]
J R Villalobos-Hernández, C C Müller-Goymann. Sun protection enhancement of titanium dioxide crystals by the use of carnauba wax nanoparticles: the synergistic interaction between organic and inorganic sunscreens at nanoscale. International journal of pharmaceutics. 2006 Sep; 322(1-2):161-70. doi: 10.1016/j.ijpharm.2006.05.037. [PMID: 16824709]
Rozana Othman, Halijah Ibrahim, Mustafa Ali Mohd, Khalijah Awang, Anwar-Ul Hassan Gilani, Mohd Rais Mustafa. Vasorelaxant effects of ethyl cinnamate isolated from Kaempferia galanga on smooth muscles of the rat aorta. Planta medica. 2002 Jul; 68(7):655-7. doi: 10.1055/s-2002-32900. [PMID: 12143006]