1.0 2016-09-30 23:04:59 UTC 2020-05-11 20:03:11 UTC BMDB0003503 BMDB03503 3-(3,4-Dihydroxyphenyl)lactic acid 3-(3,4-Dihydroxyphenyl)lactate 3,4-Dihydroxyphenyllactic acid 3,4-Dihydroxyphenyllactate 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoate 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoic acid a-Hydroxyhydrocaffeic acid alpha-Hydroxyhydrocaffeate alpha-Hydroxyhydrocaffeic acid Danshensu DL-b-(3,4-Dihydroxyphenyl)lactic acid DL-beta-(3,4-Dihydroxyphenyl)lactic acid (3,4-Dihydroxyphenyl)lactic acid 3,4-Dihydroxyphenyllactic acid, monosodium salt, (R)-isomer 3,4-Dihydroxyphenyllactic acid, (+-)-isomer 3,4-Dihydroxyphenyllactic acid, (R)-isomer 3,4-Dihydroxyphenyllactic acid, monosodium salt, (+-)-isomer Salvianic acid a sodium 3,4-Dihydroxyphenyllactic acid, monosodium salt 2-Hydroxy-3-(3',4'-dihydroxyphenyl)propanoic 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. Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Phenylpropanoic acids 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 Aromatic homomonocyclic compounds 2-hydroxy monocarboxylic acid catechols Solid logp 0.77 ALOGPS logs -1.47 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 number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon 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 Specdb::CMs 22409 Specdb::CMs 38616 Specdb::CMs 125401 Specdb::CMs 129363 Specdb::CMs 146417 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB023184 388544 439435 C01207 17807 C00031720 6942 Poljanac, Mirela; Vasic-Racki, Durda; Hadolin, Majda; Bauman, Davor. Enzymatic preparation of Danshensu. Slovenski Kemijski Dnevi, Maribor, Slovenia, Sept. 25-26, 2003 (2003), 239-245.