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Basic Description
| Synonyms | 3-METHYLINDOLE | 3-Methyl-1H-indole | Skatole | 83-34-1 | Scatole | Skatol | 1H-Indole, 3-methyl- | beta-Methylindole | Indole, 3-methyl- | 3-MI | 3-methyl indole | 3-Methyl-4,5-benzopyrrole | FEMA No. 3019 | CCRIS 8961 | NSC 122024 | HSDB 3511 | EINECS 201-471-7 | .beta.-Methylindole | UNI |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
3-Methylindole is a naturally abundant pneumotoxin. In lower concentrations, the compound has a pleasant aroma, giving orange blossoms and jasmine their pleasing scent. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indoles
- Level5 3-alkylindoles
- Level6 3-methylindoles
- Level5 3-alkylindoles
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Subclass
Indoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | 3-alkylindoles |
| Direct Parent | 3-methylindoles |
| Alternative Parents | Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-methylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group. |
| External Descriptors | a small molecule |
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Associated Targets(Human)
PTH1R
Tclin
Parathyroid hormone receptor (47172 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ATM
Tchem
Serine-protein kinase ATM (4198 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GMNN
Tbio
Geminin (128009 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
ampC
Beta-lactamase AmpC (62480 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rattus norvegicus (775804 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 3-methyl-1H-indole |
|---|---|
| INCHI | InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3 |
| InChIKey | ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
| Smiles | CC1=CNC2=CC=CC=C12 |
| Isomeric SMILES | CC1=CNC2=CC=CC=C12 |
| WGK Germany | 2 |
| RTECS | NM0350000 |
| Molecular Weight | 131.17 |
| Beilstein | 111296 |
| Reaxy-Rn | 111296 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111296&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Light & Air Sensitive. |
|---|---|
| Flash Point(°F) | 269.6 °F |
| Flash Point(°C) | 132℃ |
| Boil Point(°C) | 265-266°C |
| Melt Point(°C) | 95°C |
| Molecular Weight | 131.170 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 131.073 Da |
| Monoisotopic Mass | 131.073 Da |
| Topological Polar Surface Area | 15.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 122.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Bingbing Luo, Kai Wu, Jiajun Yu, Siyu Wang, Yihan Wang, Chenyang Chu, Huiyan Zhang. (2022) Enhancement of renewable N-heterocycles production via catalytic co-pyrolysis of glycerol and cellulose over HZSM-5 under ammonia atmosphere. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 167 (105649). |
| 2. Qiao Ma, Nan Meng, Jiancheng Su, Yujie Li, Jiazheng Gu, Yidi Wang, Jingwei Wang, Yuanyuan Qu, Zelong Zhao, Yeqing Sun. (2023) Unraveling the skatole biodegradation process in an enrichment consortium using integrated omics and culture-dependent strategies. Journal of Environmental Sciences, 127 (688). |
| 3. Jia Yin, Yujie Song, Yaozhong Hu, Yuanyifei Wang, Bowei Zhang, Jin Wang, Xuemeng Ji, Shuo Wang. (2021) Dose-Dependent Beneficial Effects of Tryptophan and Its Derived Metabolites on Akkermansia In Vitro: A Preliminary Prospective Study. Microorganisms, 9 (7): (1511). |
| 4. Yanjuan Gao, Guoying Wang, Aijuan Zhou, Xiuping Yue, Yanqing Duan, Xin Kong, Xiao Zhang. (2019) Effect of nitrate on indole degradation characteristics and methanogenesis under mixed denitrification and methanogenesis culture. BIOCHEMICAL ENGINEERING JOURNAL, 145 (33). |
| 5. Zhang S., Quan Y., Song L., Duan P., Fan Y.-Сh.. (2017) Three-Dimensional Fluorescence Characteristics of Algal Bio-Oil. Journal of Applied Spectroscopy, 84 (3): (508-511). |
| 6. Qian Yao, Lujiang Xu, Zheng Han, Ying Zhang. (2015) Production of indoles via thermo-catalytic conversion and ammonization of bio-derived furfural. CHEMICAL ENGINEERING JOURNAL, 280 (74). |
| 7. Pengfei Ma, Wenming Yang, Ting Fan, Hong Liu, Zhiping Zhou, Jinhui Li, Lin Zhang, Wanzhen Xu. (2015) Surface imprinted polymers for oil denitrification with the combination of computational simulation and multi-template molecular imprinting. POLYMERS FOR ADVANCED TECHNOLOGIES, 26 (5): (476-486). |
| 8. Lukuan Liu, Yang Cao, Pengfei Ma, Chunxiao Qiu, Wanzhen Xu, Hong Liu, Weihong Huang. (2013) Rational design and preparation of magnetic imprinted polymers for removal of indole by molecular simulation and improved atom transfer radical polymerization. RSC Advances, 4 (2): (605-616). |
| 9. Yufei Deng, Xiaoying Hou, Qian Fang, Haiping Wang, Xiaoxuan Li, Zhiyong Hu, Zhaolu Liu, Limei Fan, Yunyi Liu, Zhengqi Fu, Xiji Shu, Binlian Sun, Lijun Huang, Yuchen Liu. (2025) High-salt diet decreases FOLFOX efficacy via gut bacterial tryptophan metabolism in colorectal cancer. MOLECULAR MEDICINE, 31 (66). |
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