1.0 2011-09-21 00:25:53 UTC 2025-11-19 02:43:26 UTC FDB023184 3-(3,4-Dihydroxyphenyl)lactic acid 3-(3,4-Dihydroxyphenyl)lactic acid is a natural catecholamine metabolite present in normal newborns' plasma (PMID 1391254) and in normal urine (PMID 7460271) [HMDB]. 3-(3,4-Dihydroxyphenyl)lactic acid is found in rosemary. 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoate 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoic acid 3-(3,4-dihydroxyphenyl)lactate 3-(3,4-dihydroxyphenyl)lactic acid a-Hydroxyhydrocaffeic acid alpha-Hydroxyhydrocaffeate alpha-Hydroxyhydrocaffeic acid Danshensu DL-b-(3,4-Dihydroxyphenyl)lactic acid DL-beta-(3,4-Dihydroxyphenyl)lactic acid C9H10O5 198.1727 198.05282343 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid danshensu 23028-17-3 OC(CC1=CC(O)=C(O)C=C1)C(O)=O InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14) PAFLSMZLRSPALU-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Phenylpropanoic acids Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha hydroxy acids and derivatives Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Catechols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-phenylpropanoic-acid Alcohol Alpha-hydroxy acid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Catechol Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Secondary alcohol 2-hydroxy monocarboxylic acid catechols Solid logp 0.77 ALOGPS logs -1.47 ALOGPS solubility 6.70e+00 g/l ALOGPS logp 0.58 ChemAxon pka_strongest_acidic 3.26 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid ChemAxon average_mass 198.1727 ChemAxon mono_mass 198.05282343 ChemAxon smiles OC(CC1=CC(O)=C(O)C=C1)C(O)=O ChemAxon formula C9H10O5 ChemAxon inchi InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14) ChemAxon inchikey PAFLSMZLRSPALU-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 47.42 ChemAxon polarizability 18.4 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22409 Specdb::CMs 38616 Specdb::CMs 125401 Specdb::CMs 129363 Specdb::CMs 146417 Specdb::MsIr 1999 Specdb::MsIr 2000 Specdb::MsIr 2001 Specdb::MsMs 315805 Specdb::MsMs 315806 Specdb::MsMs 315807 Specdb::MsMs 361888 Specdb::MsMs 361889 Specdb::MsMs 361890 Specdb::MsMs 2658862 Specdb::MsMs 2658863 Specdb::MsMs 2658864 Specdb::MsMs 3050738 Specdb::MsMs 3050739 Specdb::MsMs 3050740 Specdb::NmrOneD 22062 Specdb::NmrOneD 22063 Specdb::NmrOneD 22064 Specdb::NmrOneD 22065 Specdb::NmrOneD 22066 Specdb::NmrOneD 22067 Specdb::NmrOneD 22068 Specdb::NmrOneD 22069 Specdb::NmrOneD 22070 Specdb::NmrOneD 22071 Specdb::NmrOneD 22072 Specdb::NmrOneD 22073 Specdb::NmrOneD 22074 Specdb::NmrOneD 22075 Specdb::NmrOneD 22076 Specdb::NmrOneD 22077 Specdb::NmrOneD 22078 Specdb::NmrOneD 22079 Specdb::NmrOneD 22080 Specdb::NmrOneD 22081 HMDB03503 17807 #<Reference:0x000055ce2dd46a88> #<Reference:0x000055ce2dd45c00> #<Reference:0x000055ce2dd44cd8> #<Reference:0x000055ce2dd44940> #<Reference:0x000055ce2dd44620> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Rosemary Type 1 specific Rosmarinus officinalis 39367 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823