Tryptophol
PubChem CID: 10685
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| Compound Synonyms | Tryptophol, 526-55-6, Indole-3-ethanol, 3-(2-Hydroxyethyl)indole, 1H-Indole-3-ethanol, 2-(1H-Indol-3-yl)ethanol, 3-Indoleethanol, 3-Indolylethanol, 2-(1h-indol-3-yl)ethan-1-ol, Indoleethanol, Indole ethanol, 2-(3-Indolyl)ethanol, Ethanol, 2-indol-3-yl-, 1H-Indolyl-3-ethanol, ETHANOL, 3-INDOLYL-, 3-(beta-Hydroxyethyl)indole, beta-Indol-3-ylethanol, NSC 3884, 2-(1H-Indol-3-yl)-ethanol, 2-(indol-3-yl)ethanol, EINECS 208-393-2, BRN 0125553, IEA, CHEBI:17890, 5809LZ7G1U, TRYPTOPHOL [MI], NSC-3884, Maybridge1_002422, MFCD00005659, .beta.-(3-Indole)ethanol, 2-INDOLYL(3)-ETHANOL, 3-(.beta.-Hydroxyethyl)indole, DTXSID2060173, .BETA.-INDOLYLETHYL ALCOHOL, 3-.BETA.-HYDROXYETHYLINDOLE, 5-21-03-00061 (Beilstein Handbook Reference), 2-(3-INDOLYL)ETHYL ALCOHOL, 3-.OMEGA.-HYDROXYETHYLINDOLE, 3-beta-hydroxyethylindole, 3-omega-hydroxyethylindole, 3Indolylethanol, Indole3ethanol, UNII-5809LZ7G1U, 3-indolethanol, 1HIndole3ethanol, Tryptaphol, 6, betaIndol3ylethanol, Ethanol, 3indolyl, 1H3Indole3ethanol, ZCW, 2(3Indolyl)ethanol, 2Indolyl(3)ethanol, Ethanol, 2indol3yl, (indol-3-yl)ethanol, 3betaHydroxyethylindole, 2-(3-Indolylethanol, b-(3-Indole)ethanol, 3omegaHydroxyethylindole, betaIndolylethyl alcohol, 3(2Hydroxyethyl)indole, Indole3ethanol (8CI), beta-(3-Indole)ethanol, 3(betaHydroxyethyl)indole, 2(3Indolyl)ethyl alcohol, 3-(b-Hydroxyethyl)indole, 2-(indol-3-yl)-ethanol, bmse000473, Indole-3-ethanol (8CI), 3-(2-Hydroxyethyl) Indole, MLS001250154, DivK1c_001174, SCHEMBL196126, 2-(3-INDOLE)ETHANOL, WLN: T56 BMJ D2Q, CHEMBL226545, ISUPSL100239, BETA-INDOLYLETHYL ALCOHOL, DTXCID1041219, BDBM92686, HMS548G02, MBBOMCVGYCRMEA-UHFFFAOYSA-, 2-(1H-Indol-3-yl)ethanol #, NSC3884, 3-(2-Hydroxy-ethyl)-1H-indole, 3-(2-Hydroxyethyl)indole, 97%, HMS2270O23, BCP15412, BBL027534, s4858, STL382051, AKOS002666320, AC-3286, CCG-266289, CS-W010871, FT30497, HY-W010155, SB14961, CDS1_000134, NCGC00247328-01, 930395-07-6, AS-15780, SMR000686021, SY004666, DB-007578, DB-345928, I0030, NS00014703, EN300-70080, C00955, AE-508/40182784, Q5479351, Z1123806416, 3-(2-Hydroxyethyl)indole, Vetec(TM) reagent grade, 97%, 08DD2DF3-02E7-44DC-9714-864651873577, Indole-3-ethanol, 3-(2-Hydroxyethyl)indole, 3-(beta-Hydroxyethyl)indole, InChI=1/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 |
|---|---|
| Topological Polar Surface Area | 36.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P43220, P38398 |
| Iupac Name | 2-(1H-indol-3-yl)ethanol |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Xlogp | 1.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Indoles |
| Molecular Formula | C10H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | MBBOMCVGYCRMEA-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -1.749 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 1.438 |
| Synonyms | 1H-Indole-3-ethanol, 1H-Indole-3-ethanol, 9CI, 1H-Indolyl-3-ethanol, 2-(1H-indol-3-yl)Ethanol, 2-(3-Indolyl)ethanol, 2-(3-Indolylethanol, 2-(indol-3-yl)Ethanol, 3-(2-Hydroxyethyl)indole, 3-(b-Hydroxyethyl)indole, 3-(beta-Hydroxyethyl)indole, 3-Indoleethanol, 3-Indolylethanol, b-(3-Indole)ethanol, beta-(3-Indole)ethanol, beta-indol-3-Ylethanol, DL-Tryptophanol, IEA, Indole ethanol, Indole-3-ethanol, Indoleethanol, Tryptophanol, Tryptophol |
| Substituent Name | Indole, Benzenoid, Substituted pyrrole, Heteroaromatic compound, Pyrrole, Azacycle, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Organonitrogen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Tryptophol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 161.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8672647999999998 |
| 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 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CCO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Finetianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Smithii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Centrosema Pubescens (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Corydalis Solida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Daniellia Oliveri (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Drosera Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Physocarpus Opulifolius (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Picea Sitchensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Pycnarrhena Ozantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all