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Basic Description
| Synonyms | EINECS 208-393-2 | SB14961 | Z1123806416 | FT-0600657 | ISUPSL100239 | Q5479351 | 1H-Indolyl-3-ethanol | AC-3286 | ETHANOL, 3-INDOLYL- | TRYPTOPHOL [MI] | WLN: T56 BMJ D2Q | CCG-266289 | DTXSID2060173 | Ethanol, 2-indol-3-yl- | 2-(3-INDOLE)ETHANOL | 3-.BE |
|---|---|
| Specifications & Purity | ≥97%(GC) |
| Storage Temp | Desiccated |
| Shipped In | Normal |
| Product Description |
Reactant for preparation of Inhibitors of the C-terminal domain of RNA polymerase II and their antitumor activities，Anti-HIV-1 agents， Inhibitors of Protein-Protein Interactions，Partial agonists of the serotonin 5-HT1A receptor，Growth hormone secretagogues，Vascular endothelial growth factor (VEGF) inhibitors，A2B adenosine receptor ligands， Potential detoxification inhibitors of the crucifer phytoalexin brassinin， Inhibitors of interleukine 6，Dual binding site acetylcholinesterase inhibitors. |
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
- 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 | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| External Descriptors | a small molecule |
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Associated Targets(Human)
GLP1R
Tclin
Glucagon-like peptide 1 receptor (111429 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SH-SY5Y (11521 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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U-251 (51189 Activities)
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HaCaT (4069 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NTRK2
Tclin
Neurotrophic tyrosine kinase receptor type 2 (3279 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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BRCA1
Tchem
Breast cancer type 1 susceptibility protein (15908 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Plenodomus lingam (178 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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N2a (708 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rhizoctonia solani (2251 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Laetisaria fuciformis (2 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Cryphonectria parasitica (24 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Magnaporthiopsis poae (2 Activities)
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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
| Pubchem Sid | 504751985 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751985 |
| IUPAC Name | 2-(1H-indol-3-yl)ethanol |
| INCHI | InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 |
| InChIKey | MBBOMCVGYCRMEA-UHFFFAOYSA-N |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CCO |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=CN2)CCO |
| WGK Germany | 3 |
| RTECS | KL3685000 |
| PubChem CID | 10685 |
| Molecular Weight | 161.2 |
| Beilstein | 125553 |
| Reaxy-Rn | 125553 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2421342 |
Certificate of Analysis | Apr 01, 2024 | T112368 |
| I2312673 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| I2312672 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| I2312677 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| I2312678 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| I2312681 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| H2422111 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| H2422109 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| I2312685 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| I2312686 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
| I2312668 |
Certificate of Analysis | Sep 04, 2023 | T112368 |
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Chemical and Physical Properties
| Solubility | Slightly soluble in water; Soluble in Alcohol,Acetone,Ether |
|---|---|
| Sensitivity | Light sensitive. |
| Flash Point(°F) | 255℃ |
| Flash Point(°C) | 255℃ |
| Boil Point(°C) | 174°C |
| Melt Point(°C) | 57-60°C |
| Molecular Weight | 161.200 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 161.084 Da |
| Monoisotopic Mass | 161.084 Da |
| Topological Polar Surface Area | 36.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| 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 |
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