| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:51 UTC |
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| Update date | 2017-01-19 02:36:32 UTC |
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| FoodComEx ID | PC000668 |
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| FoodDB Record | FDB010973 |
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| Chemical Information |
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| Name | Tryptophol |
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| Description | Indole-3-ethanol is a dietary indole present in cruciferous vegetables that has been shown to influence estradiol metabolism in humans and may provide a new chemopreventive approach to estrogen-dependent diseases. (PMID 2342128)
3-Indole ethanol has been identified as the hypnotic agent in trypanosomal sleeping sickness, and because it is formed in vivo after ethanol or disulfiram treatment, is also associated with the study of alcoholism. (PMID 7241135) [HMDB]. Tryptophol is found in many foods, some of which are linden, cupuaçu, black-eyed pea, and mango. |
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| CAS Number | 526-55-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1H-Indole-3-ethanol | ChEBI | | 1H-Indole-3-ethanol, 9CI | db_source | | 1H-Indolyl-3-ethanol | ChEBI | | 2-(1H-indol-3-yl)Ethanol | HMDB | | 2-(3-Indolyl)ethanol | db_source | | 2-(3-Indolylethanol | HMDB | | 2-(indol-3-yl)Ethanol | ChEBI | | 3-(2-Hydroxyethyl)indole | ChEBI | | 3-(b-Hydroxyethyl)indole | HMDB | | 3-(beta-Hydroxyethyl)indole | HMDB | | 3-Indoleethanol | HMDB | | 3-Indolylethanol | HMDB | | b-(3-Indole)ethanol | HMDB | | beta-(3-Indole)ethanol | HMDB | | beta-indol-3-Ylethanol | HMDB | | DL-Tryptophanol | HMDB | | IEA | HMDB | | Indole ethanol | HMDB | | Indole-3-ethanol | ChEBI | | Indoleethanol | HMDB | | Tryptophanol | ChEBI | | Tryptophol | db_source |
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| Chemical Formula | C10H11NO |
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| IUPAC name | 2-(1H-indol-3-yl)ethan-1-ol |
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| InChI Identifier | InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 |
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| InChI Key | MBBOMCVGYCRMEA-UHFFFAOYSA-N |
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| Isomeric SMILES | OCCC1=CNC2=CC=CC=C12 |
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| Average Molecular Weight | 161.2004 |
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| Monoisotopic Molecular Weight | 161.084063979 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Indoles |
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| Direct Parent | 3-alkylindoles |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 60 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | J92632 |
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| AKSci | Q758 |
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| MetaSci | HMDB0003447 |
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| Tokyo Chemical Industry | HMDB0003447 |
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| Toronto Research Chemicals | T894700 |
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