4-Hydroxyphenylglycolic acid
PubChem CID: 328
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| Compound Synonyms | 4-HMA, 1198-84-1, 2-hydroxy-2-(4-hydroxyphenyl)acetic acid, 4-Hydroxyphenylglycolic acid, 4-Hydroxymandelic acid, p-Hydroxymandelic acid, DL-4-Hydroxymandelic acid, Hydroxy(4-hydroxyphenyl)acetic acid, Benzeneacetic acid, alpha,4-dihydroxy-, Mandelic acid, p-hydroxy-, 4-Hydroxy-DL-mandelic acid, (RS)-p-Hydroxymandelic acid, DL-p-Hydroxymandelic acid, p-Hydroxyphenylglycolic acid, HV52GS53BA, 2-(4-Hydroxyphenyl)-2-hydroxyacetic acid, DL-p-Hydroxyphenylglycolic acid, CHEBI:16388, alpha,4-Dihydroxybenzeneacetic acid, MFCD00004234, Dl-4-hydroxymandelicacid, p-Hydroxymandelate, p-hydroxy-Mandelate, EINECS 214-839-7, DL-p-Hydroxymandelate, DL-4-Hydroxymandelate, parahydroxymandelic acid, p-Hydroxyphenylglycolate, delta-p-hydroxymandelate, p-hydroxy-Mandelic acid, 4-Hydroxyphenylglycolate, 4-Hydroxy-DL-mandelate, 4-hydroxy-mandelic acid, Benzeneacetic acid, .alpha.,4-dihydroxy-, delta-4-hydroxymandelate, 4'-Hydroxymandelic acid, (RS)-p-Hydroxymandelate, 2-(4'-hydroxyphenyl)-2-hydroxyethanoic acid, DL-p-Hydroxyphenylglycolate, UNII-HV52GS53BA, (+-)-p-Hydroxymandelic acid, SCHEMBL352555, (+-)-4-Hydroxymandelic acid, alpha,4-Dihydroxybenzeneacetate, racemic parahydroxymandelic acid, p-Hydroxymandelic acid (PHMA), (+/-)-4-hydroxymandelic acid, alpha,4-dihydroxy-Benzeneacetate, CHEMBL2087618, DTXSID70862596, alpha,4-dihydroxy-Benzeneacetic acid, Benzeneacetic acid, ?,4-dihydroxy-, EINECS 230-569-2, MFCD00798432, .alpha.,4-Dihydroxybenzeneacetic acid, 2-(4-Hydroxyphenyl)-2-hydroxyacetate, AKOS009156762, DL-alpha,4-Dihydroxyphenylacetic Acid, (+/-)-P-HYDROXYMANDELIC ACID, FH66217, (+/-)-alpha,4-dihydroxy-Benzeneacetate, 2-hydroxy-2-(4-hydroxyphenyl)aceticacid, (+-)-alpha,4-Dihydroxybenzeneacetic acid, AC-19775, DS-18506, SY113769, SY346502, HY-113027, (+/-)-alpha,4-dihydroxy-Benzeneacetic acid, CS-0059383, H0660, NS00014743, 2-(4-hydroxyphenyl)-2-oxidanyl-ethanoic acid, D95528, EN300-204954, A837374, AE-562/40848536, (+/-)-.ALPHA.,4-DIHYDROXYBENZENEACETIC ACID, Q10395570 |
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| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Description | An acidic metabolite of p-octopamine and p-synephrine (p-phenylephrine). It is also a naturally occurring metabolite of tyramine. A specific enantiomer of p-hydroxymandelic aicd ((R)-(-)-p-hydroxymandelic -- also called pisolithin B) has been shown to exhibit antifungal properties. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-2-(4-hydroxyphenyl)acetic acid |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 0.3 |
| Superclass | Benzenoids |
| Subclass | Phenylacetic acid derivatives |
| Molecular Formula | C8H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHXHKYRQLYQUIH-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | (+/-)-alpha,4-dihydroxy-Benzeneacetate, (+/-)-alpha,4-dihydroxy-Benzeneacetic acid, (R)-4-Hydroxymandelate, (RS)-p-Hydroxymandelate, (RS)-p-Hydroxymandelic acid, (S)-4-Hydroxymandelate, 2-(4-Hydroxyphenyl)-2-hydroxyacetate, 2-(4-Hydroxyphenyl)-2-hydroxyacetic acid, 3-Dimethylallyl-4-hydroxymandelate, 3-Dimethylallyl-4-hydroxymandelic acid, 4-Hydroxy-DL-mandelate, 4-Hydroxy-DL-mandelic acid, 4-Hydroxymandelate, 4-Hydroxymandelic acid, 4-Hydroxyphenylglycolate, 4-Hydroxyphenylglycolic acid, alpha,4-dihydroxy-Benzeneacetate, alpha,4-dihydroxy-Benzeneacetic acid, alpha,4-Dihydroxybenzeneacetate, alpha,4-Dihydroxybenzeneacetic acid, D-4-hydroxymandelate, D-p-hydroxymandelate, delta-4-hydroxymandelate, delta-p-hydroxymandelate, DL-4-Hydroxymandelate, DL-4-Hydroxymandelic acid, DL-p-Hydroxymandelate, DL-p-Hydroxymandelic acid, DL-p-Hydroxyphenylglycolate, DL-p-Hydroxyphenylglycolic acid, Hydroxy(4-hydroxyphenyl)acetate, Hydroxy(4-hydroxyphenyl)acetic acid, L-4-hydroxymandelate, L-p-hydroxymandelate, p-hydroxy-Mandelate, p-hydroxy-Mandelic acid, p-Hydroxymandelate, p-Hydroxymandelic acid, p-Hydroxyphenylglycolate, p-Hydroxyphenylglycolic acid |
| Substituent Name | Phenylacetate, Benzyl alcohol, Phenol, Hydroxy acid, Alpha-hydroxy acid, Secondary alcohol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aromatic homomonocyclic compound |
| Compound Name | 4-Hydroxyphenylglycolic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 168.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3095176 |
| Inchi | InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) |
| Smiles | C1=CC(=CC=C1C(C(=O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients