1.0 2011-09-21 00:07:32 UTC 2019-11-26 03:21:01 UTC FDB022047 3-Hydroxyphenylacetic acid 3-Hydroxyphenylacetic acid is a rutin metabolite and an antioxidant. It has a protective biological activity in human. It is a substrate of enzyme 4-hydroxyphenylacetate 3-monooxygenase [EC 1.14.13.3] in the pathway tyrosine metabolism. (KEGG, PMID 155437) [HMDB] (3-hydroxy-phenyl)-acetate (3-hydroxy-phenyl)-acetic acid (m-Hydroxyphenyl)acetate (m-Hydroxyphenyl)acetic acid 3-hydroxy-benzeneacetate 3-hydroxy-benzeneacetic acid 3-Hydroxybenzeneacetate 3-Hydroxybenzeneacetic acid 3-Hydroxyphenylacetate 3-Hydroxyphenylacetic acid m-hydroxyphenylacetate m-hydroxyphenylacetic acid C8H8O3 152.1473 152.047344122 2-(3-hydroxyphenyl)acetic acid 3-hydroxyphenylacetic acid 621-37-4 OC(=O)CC1=CC(O)=CC=C1 InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FVMDYYGIDFPZAX-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. 1-hydroxy-4-unsubstituted benzenoids Organic compounds Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound monocarboxylic acid phenols Solid logp 0.93 ALOGPS logs -1.34 ALOGPS solubility 6.98e+00 g/l ALOGPS logp 1.31 ChemAxon pka_strongest_acidic 4 ChemAxon pka_strongest_basic -6 ChemAxon iupac 2-(3-hydroxyphenyl)acetic acid ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles OC(=O)CC1=CC(O)=CC=C1 ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) ChemAxon inchikey FVMDYYGIDFPZAX-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 39.35 ChemAxon polarizability 14.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 517 Specdb::MsIr 518 Specdb::MsIr 519 Specdb::CMs 1290 Specdb::CMs 1494 Specdb::CMs 5797 Specdb::CMs 30055 Specdb::CMs 31144 Specdb::CMs 31145 Specdb::CMs 32085 Specdb::CMs 37537 Specdb::CMs 155795 Specdb::CMs 1062737 Specdb::CMs 1062738 Specdb::CMs 1062740 Specdb::CMs 1062742 Specdb::CMs 1062744 Specdb::NmrTwoD 1314 Specdb::MsMs 641 Specdb::MsMs 642 Specdb::MsMs 643 Specdb::MsMs 240622 Specdb::MsMs 240623 Specdb::MsMs 240624 Specdb::MsMs 242677 Specdb::MsMs 242678 Specdb::MsMs 242679 Specdb::MsMs 440172 Specdb::MsMs 2233609 Specdb::MsMs 2235236 Specdb::MsMs 2235310 Specdb::MsMs 2238586 Specdb::MsMs 2238977 Specdb::MsMs 2244903 Specdb::MsMs 2245195 Specdb::MsMs 2246980 Specdb::MsMs 2247327 Specdb::MsMs 2248946 Specdb::MsMs 2249426 Specdb::MsMs 2251021 Specdb::MsMs 2251406 Specdb::MsMs 2252516 Specdb::MsMs 2253953 Specdb::NmrOneD 1231 Specdb::NmrOneD 1370 Specdb::NmrOneD 6742 Specdb::NmrOneD 6743 Specdb::NmrOneD 6744 Specdb::NmrOneD 6745 Specdb::NmrOneD 6746 Specdb::NmrOneD 6747 Specdb::NmrOneD 6748 Specdb::NmrOneD 6749 Specdb::NmrOneD 6750 Specdb::NmrOneD 6751 Specdb::NmrOneD 6752 Specdb::NmrOneD 6753 Specdb::NmrOneD 6754 Specdb::NmrOneD 6755 Specdb::NmrOneD 6756 Specdb::NmrOneD 6757 Specdb::NmrOneD 6758 Specdb::NmrOneD 6759 Specdb::NmrOneD 6760 Specdb::NmrOneD 6761 Specdb::NmrOneD 166515 HMDB00440 3HP #<Reference:0x000055ce2f302778> #<Reference:0x000055ce2f302480> #<Reference:0x000055ce2f302188> #<Reference:0x000055ce2f301f80> #<Reference:0x000055ce2f301d50> #<Reference:0x000055ce2f301a58> #<Reference:0x000055ce2f301828> Milk (Cow) Type 2 specific