methylorsellinate (BioDeep_00000396557)
Main id: BioDeep_00000268017
PANOMIX_OTCML-2023
代谢物信息卡片
化学式: C9H10O4 (182.057906)
中文名称: 2,4-二羟基-6-甲基苯甲酸甲酯
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC1=CC(=CC(=C1C(=O)OC)O)O
InChI: InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3
描述信息
Orsellinic acid methyl ester is a hydroxybenzoic acid. It has a role as a metabolite.
Methyl 2,4-dihydroxy-6-methylbenzoate is a natural product found in Blasia pusilla, Sparassis crispa, and other organisms with data available.
A natural product found in Rhododendron ferrugineum.
同义名列表
15 个代谢物同义名
Benzoic acid, 2,4-dihydroxy-6-methyl-, methyl ester; Benzoic acid,2,4-dihydroxy-6-methyl-, methyl ester; 2,4-Dihydroxy-6-methylbenzoic acid methyl ester; .beta.-Resorcylic acid, 6-methyl-, methyl ester; methyl 2,4-dihydroxy-6-methyl-benzoate; Methyl 2,4-dihydroxy-6-methyl benzoate; Methyl 2,4-dihydroxy-6-methylbenzoate; Methyl 4,6-dihydroxy-2-methylbenzoate; Orsellinic acid monomethyl ester; Methyl 6-methyl-ss-resorcylate; orsellinic acid methyl ester; Methyl o-orsellinate; Methyl orsellinate; methylorsellinate; Spectrum2_001751
数据库引用编号
8 个数据库交叉引用编号
- ChEBI: CHEBI:67898
- PubChem: 76658
- ChEMBL: CHEMBL454431
- MeSH: methyl orsellinate
- ChemIDplus: 0003187584
- CAS: 3187-58-4
- medchemexpress: HY-N3270
- MetaboLights: MTBLC67898
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)
0 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
- Nishanth B Bhat, Subham Das, Balireddy V S Sridevi, Raghu Chandrashekhar H, Sanjeeva Nayaka, Narasimhan S, Sumit Raosaheb Birangal, G Gautham Shenoy, Alex Joseph. Molecular docking and dynamics supported investigation of antiviral activity of Lichen metabolites of Roccella montagnei: an in silico and in vitro study.
Journal of biomolecular structure & dynamics.
2023; 41(21):11484-11497. doi:
10.1080/07391102.2023.2180666. [PMID: 36803674] - Srilakshmi Tirupathamma Reddy, Jolly Janette Mendonza, Venkata Krishna Kanth Makani, Manika Pal Bhadra, Venkata Mallavadhani Uppuluri. Synthesis of some novel methyl β-orsellinate based 3, 5-disubstituted isoxazoles and their anti-proliferative activity: Identification of potent leads active against MCF-7 breast cancer cell.
Bioorganic chemistry.
2020 12; 105(?):104374. doi:
10.1016/j.bioorg.2020.104374. [PMID: 33130349] - Gordana Stojanović, Ivana Zrnzević, Ivana Zlatanović, Miroslava Stanković, Vesna Stankov Jovanović, Violeta Mitić, Aleksandra Đorđević. Chemical profile and biological activities of Peltigera horizontalis (Hudson) Baumg. thallus and apothecia extracts.
Natural product research.
2020 Feb; 34(4):549-552. doi:
10.1080/14786419.2018.1489386. [PMID: 30445826] - Huanyang Qi, Juan Chen, Yanping Shi. [Determination of atranol, lecanorin, ethyl orsellinate and methyl orsellinate in Usnea diffracta by RP-HPLC].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica.
2011 Aug; 36(16):2233-5. doi:
10.4268/cjcmm20111618. [PMID: 22097337] - Tatjana Mitrović, Slaviša Stamenković, Vladimir Cvetković, Svetlana Tošić, Milan Stanković, Ivana Radojević, Olgica Stefanović, Ljiljana Comić, Dragana Dačić, Milena Curčić, Snežana Marković. Antioxidant, antimicrobial and antiproliferative activities of five lichen species.
International journal of molecular sciences.
2011; 12(8):5428-48. doi:
10.3390/ijms12085428. [PMID: 21954369] - Danielle Bogo, Maria Fatima Cepa de Matos, Neli Kika Honda, Elenir Curi Pontes, Patricia Midori Oguma, Evelyn Cristina Silva da Santos, João Ernesto de Carvalho, Auro Nomizo. In vitro antitumour activity of orsellinates.
Zeitschrift fur Naturforschung. C, Journal of biosciences.
2010 Jan; 65(1-2):43-8. doi:
10.1515/znc-2010-1-208. [PMID: 20355320] - Changon Seo, Yun-Hyeok Choi, Jong Seog Ahn, Joung Han Yim, Hong Kum Lee, Hyuncheol Oh. PTP1B inhibitory effects of tridepside and related metabolites isolated from the Antarctic lichen Umbilicaria antarctica.
Journal of enzyme inhibition and medicinal chemistry.
2009 Oct; 24(5):1133-7. doi:
10.1080/14756360802667811. [PMID: 19619069] - Changon Seo, Jae Hak Sohn, Jong Seog Ahn, Joung Han Yim, Hong Kum Lee, Hyuncheol Oh. Protein tyrosine phosphatase 1B inhibitory effects of depsidone and pseudodepsidone metabolites from the Antarctic lichen Stereocaulon alpinum.
Bioorganic & medicinal chemistry letters.
2009 May; 19(10):2801-3. doi:
10.1016/j.bmcl.2009.03.108. [PMID: 19362837] - Meng Wang, Teng-fei Ji, Jian-bo Yang, Ya-lun Su. [Studies on the chemical constituents of Phellodendron chinense].
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials.
2009 Feb; 32(2):208-10. doi:
. [PMID: 19504962] - Li-Li Wang, Zhan-Lin Li, Hui-Ming Hua, Xiao-Qiu Liu. [Chemical constituents from barks of Garcinia tetralata].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica.
2008 Oct; 33(20):2350-2. doi:
. [PMID: 19157125] - Rachel Mata, Robert Bye, Edelmira Linares, Martha Macías, Isabel Rivero-Cruz, Olga Pérez, Barbara N Timmermann. Phytotoxic compounds from Flourensia cernua.
Phytochemistry.
2003 Sep; 64(1):285-91. doi:
10.1016/s0031-9422(03)00217-6. [PMID: 12946427] - L Acevedo, E Martínez, P Castañeda, S Franzblau, B N Timmermann, E Linares, R Bye, R Mata. New phenylethanoids from Buddleja cordata subsp. cordata.
Planta medica.
2000 Apr; 66(3):257-61. doi:
10.1055/s-2000-8570. [PMID: 10821053]