3-(Indol-3-yl)propionic acid
PubChem CID: 3744
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| Compound Synonyms | 3-Indolepropionic acid, 830-96-6, Indole-3-propionic acid, 3-(1H-Indol-3-yl)propanoic acid, 1H-Indole-3-propanoic acid, Indolepropionic acid, 3-(3-Indolyl)propionic acid, 3-(3-Indolyl)propanoic acid, Indolylpropionic Acid, IPA (auxin), 3-(Indol-3-yl)propionic acid, 1H-INDOLE-3-PROPIONIC ACID, 3-(3-Indole)propionic acid, Oxigon, beta-Indolylpropionate, 3-(2-Carboxyethyl)-1H-indole, 3-Indolepropionicacid, indole propionate, indole-3-propanoic acid, MFCD00005660, beta-(3-Indolyl)propionic acid, NSC 3252, 1H-Indole-3-proponoic acid, NSC 47831, CCRIS 4424, 3-(Indol-3-yl)propanoic acid, 3-(1H-Indol-3-yl)propionic acid, EINECS 212-600-1, JF49U1Q7KN, BRN 0147733, VP-20629, CHEBI:43580, AI3-17433, NSC-3252, 3-(1H-indol-3-yl)-propionic acid, NSC-47831, .beta.-Indolepropionic acid, VP 20629, .beta.-Indole-3-propionic acid, DTXSID7061192, .beta.-(3-Indolyl)propionic acid, 5-22-03-00114 (Beilstein Handbook Reference), .beta.-Indolylpropionate, 3-(1H-Indol-3-yl)propionate, UNII-JF49U1Q7KN, b-Indolepropionate, 4ejl, 3-Indolepropionate, Indole-3-propionic, beta-Indolepropionate, 3-indolpropionic acid, b-Indolepropionic acid, b-Indole-3-propionate, Acid, 7, 3-Indole propionic acid, Indole 3-propionic acid, 1H-Indole-3-propionate, beta-Indolepropionic acid, indole-3-proprionic acid, b-(3-Indolyl)propionate, beta-Indole-3-propionate, Maybridge1_002431, 3-(3-Indolyl)propanoate, 3-(3-Indolyl)propionate, b-Indole-3-propionic acid, beta-(3-Indolyl)propionate, Oprea1_071255, b-(3-Indolyl)propionic acid, beta-Indole-3-propionic acid, BIDD:GT0788, DivK1c_001183, SCHEMBL195405, 3-Indolepropionic acid (IPA), 3-(3-indolyl)-propionic acid, CHEMBL207225, GTPL4709, SCHEMBL1767754, SHP622, DTXCID5048342, BDBM31879, HMS548G11, NSC3252, SHP-622, 1F1-N, 3-Indolepropionic acid (Standard), GLXC-03350, HMS3604I20, HMS3886E03, ALBB-034983, BCP26573, HY-W015229R, NSC47831, BBL001406, s4809, STK247053, 3-(1H-Indol-3-yl)propanoic acid #, AKOS000120911, CCG-115418, CS-W015945, DB02758, FI30477, FS-3158, HY-W015229, SDCCGMLS-0065895.P001, VP20629, CDS1_000143, NCGC00340705-01, AC-10570, BP-21044, SY015400, DB-011207, Indole-3-propionic acid, >=97.0% (T), Indole-3-propionic acid, >=99.0% (T), I0032, NS00038237, EN300-20789, 3-Indolepropionic acid, ReagentPlus(R), 99%, C22236, AB01333057-02, BRD-K21071223-001-02-8, Q21098993, 3-Indolepropionic acid, Vetec(TM) reagent grade, 99%, F0849-0388, Z104482518, 10265-77-7, 212-600-1 |
|---|---|
| Topological Polar Surface Area | 53.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Description | Indole-3-propionate (IPA), a deamination product of tryptophan formed by symbiotic bacteria in the gastrointestinal tract of mammals and birds. 3-Indolepropionic acid has been shown to prevent oxidative stress and death of primary neurons and neuroblastoma cells exposed to the amyloid beta-protein in the form of amyloid fibrils, one of the most prominent neuropathologic features of Alzheimer's disease. 3-Indolepropionic acid also shows a strong level of neuroprotection in two other paradigms of oxidative stress. (PMID: 10419516) [HMDB]. 1H-Indole-3-propanoic acid is found in common pea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1H-indol-3-yl)propanoic acid |
| Nih Violation | False |
| Class | Indoles and derivatives |
| Xlogp | 1.8 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Indolyl carboxylic acids and derivatives |
| Molecular Formula | C11H11NO2 |
| Inchi Key | GOLXRNDWAUTYKT-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 1H-Indole-3-propionate, 1H-Indole-3-propionic acid, 3-(1H-indol-3-yl)Propanoate, 3-(1H-indol-3-yl)Propanoic acid, 3-(1H-indol-3-yl)Propionate, 3-(1H-indol-3-yl)Propionic acid, 3-(2-Carboxyethyl)-1H-indole, 3-(3-Indolyl)propanoate, 3-(3-Indolyl)propanoic acid, 3-(3-Indolyl)propionate, 3-(3-Indolyl)propionic acid, 3-Indolepropionate, Antibiotic KG 431B, b-(3-Indolyl)propionate, b-(3-Indolyl)propionic acid, b-Indole-3-propionate, b-Indole-3-propionic acid, b-Indolepropionate, b-Indolepropionic acid, beta-(3-Indolyl)propionate, beta-(3-Indolyl)propionic acid, beta-Indole-3-propionate, beta-Indole-3-propionic acid, beta-Indolepropionate, beta-Indolepropionic acid, Indole-3-propionate, Indole-3-propionic acid, Indolepropionate, Indolepropionic acid, IPA, KG 431B, β-(3-indolyl)propionate, β-(3-indolyl)propionic acid, Β-(3-indolyl)propionate, Β-(3-indolyl)propionic acid, Indole propionate, Indole-3-propanoic acid, 3-(1H-Indol-3-yl)propanoic acid, 3-(1H-Indol-3-yl)propionic acid, 3-Indolepropionic acid, 1H-Indole-3-propanoic acid, 3-(Indole-3-yl)propanoic acid, 3-(Indole-3-yl)propionic acid, beta-(3-Indolyl)propanoic acid, beta-Indole-3-propanoic acid, beta-Indolepropanoic acid, β-(3-Indolyl)propanoic acid, β-Indole-3-propanoic acid, β-Indole-3-propionic acid, β-Indolepropanoic acid, β-Indolepropionic acid |
| Substituent Name | Indolyl carboxylic acid derivative, Indole, Benzenoid, Substituted pyrrole, Heteroaromatic compound, Pyrrole, Azacycle, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | 3-(Indol-3-yl)propionic acid |
| Kingdom | Organic compounds |
| Exact Mass | 189.079 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 189.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 189.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Indolyl carboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all