Tryptophol - CAS 526-55-6
Catalog: |
BB027895 |
Product Name: |
Tryptophol |
CAS: |
526-55-6 |
Synonyms: |
2-(1H-indol-3-yl)ethanol |
IUPAC Name: | 2-(1H-indol-3-yl)ethanol |
Description: | Tryptophol is an aromatic alcohol found in Pinus sylvestris needles or seeds, and also a metabolite of the opportunistic yeast Candida albicans and other Candida spp. Tryptophol has the effect that induces sleep in humans. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN2)CCO |
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 |
InChI Key: | MBBOMCVGYCRMEA-UHFFFAOYSA-N |
Boiling Point: | 174 °C (1.995266 torr) |
Melting Point: | 56-59°C(lit.) |
Flash Point: | 255°C |
Density: | 1.219 g/cm3 |
Solubility: | Methanol: 0.1 g/mL, clear |
Appearance: | Powder |
Storage: | Keep in dark place,Sealed in dry,Room Temperature |
MDL: | MFCD00005659 |
LogP: | 1.70270 |
Refractive Index: | 1.5200 (estimate) |
Publication Number | Title | Priority Date |
CN-113501825-A | Bioactive oxindole oxide structure of 3, 4-fused seven-membered heterocycle, and synthesis method and application thereof | 20210713 |
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PMID | Publication Date | Title | Journal |
33002526 | 20201101 | Indole microbial intestinal metabolites expand the repertoire of ligands and agonists of the human pregnane X receptor | Toxicology letters |
25430725 | 20150201 | Daily rhythms of serotonin metabolism and the expression of clock genes in suprachiasmatic nucleus of rotenone-induced Parkinson's disease male Wistar rat model and effect of melatonin administration | Biogerontology |
22823278 | 20120815 | Metabolism and metabolites of dithiocarbamates in the plant pathogenic fungus Leptosphaeria maculans | Journal of agricultural and food chemistry |
22543409 | 20120707 | A hyphenated optical trap capillary electrophoresis laser induced native fluorescence system for single-cell chemical analysis | The Analyst |
22434209 | 20120507 | Ketosulfonyl indoles in the regiodefined synthesis of tryptophols and related indole derivatives | Organic & biomolecular chemistry |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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