| 2D Structure | |
| CID | 689043 |
| Target | ACHE , AKR1B10 , ALOX5 , Alpi , ALPL , APP , CA1 , CA12 , CA14 , CA3 , CA5A , CA5B , CA6 , CA7 , CA9 , Chain A, 2 , Chain A, Hiv-1 Reverse Transcriptase , Comt , DPP4 , ESR2 , euchromatic histone-lysine N-methyltransferase 2 (human) , GAPDH , GFER , GLS , HSP90AA1 , HSP90AB1 , LOX1.1 , MCL1 , MEN1 , MMP1 , MMP2 , MMP9 , NTMT1 , PF3D7_0932300 , PTPN1 |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
| InChI Key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.16 |
| synonyms | ['caffeic acid', '3,4-Dihydroxycinnamic acid', '331-39-5', '3,4-Dihydroxybenzeneacrylic acid', '(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'Cinnamic acid, 3,4-dihydroxy-', '3-(3,4-Dihydroxyphenyl)-2-propenoic acid', '2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-', '4-(2-Carboxyethenyl)-1,2-dihydroxybenzene', '3-(3,4-Dihydroxyphenyl)propenoic acid', "4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene", 'NSC 57197', 'U2S3A33KVM', 'NSC-57197', 'NSC-623438', 'CHEBI:16433', 'trans-3,4-Dihydroxycinnamic Acid', 'NSC57197', 'DTXCID10231', 'DTXSID5020231', 'CHEBI:36281', 'NSC623438', '2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-', 'Caffeic Acid 1507', 'caffeic acid, (E)-', 'Trans 3,4-Dihydroxycinnamic acid', '206-361-2', '(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'CHEBI:17395', 'cis-Caffeic acid', 'trans-caffeic acid', '501-16-6', '3-(3,4-dihydroxyphenyl)acrylic acid', '(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'Caffeicacid', '(E)-3-(3,4-dihydroxyphenyl)acrylic acid', 'trans-Caffeate', '3,4-Dihydroxy-trans-cinnamate', '71693-97-5', 'MFCD00004392', 'Caffeate', '(E)-3,4-dihydroxycinnamic acid', '2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-', '3-(3,4-Dihydroxy phenyl)-2-propenoic acid', 'CHEMBL145', 'AI3-63211', 'MLS000069738', '331-89-5', 'SMR000058214', '(2E)-3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid - Natural', 'CCRIS 847', '3-(3,4-dihydroxyphenyl)prop-2-enoic acid', 'HSDB 7088', 'SR-01000000203', 'EINECS 206-361-2', 'UNII-U2S3A33KVM', 'caffeic-acid', 'Caffeic acid pure', 'Caffeic acid, 1', 'Caffeic acid 1000 microg/mL in Acetone', '3,4-dihydroxycinnamic acid (caffeic acid)', 'Caffeic acid, trans-', '3,4-dihydroxycinnamate', 'CAFFEIC ACID natural', 'Opera_ID_1700', 'CAFFEIC ACID [MI]', 'CAFFEIC ACID [DSC]', 'Cinnamic acid,4-dihydroxy-', '3,4-Dihydroxycinnamic acid, predominantly trans', 'CAFFEIC ACID [HSDB]', 'CAFFEIC ACID [IARC]', '3,4-Dihydroxybenzeneacrylate', 'SCHEMBL23358', 'MLS001076493', 'MLS002207132', 'MLS002222302', 'MLS006011849', 'BIDD:ER0456', 'SPECTRUM1503987', 'CAFFEIC ACID [WHO-DD]', '2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, (2E)-', '3,4-Dihydroxycinnamate, XVII', 'BDBM4375', 'cid_689043', 'GTPL5155', 'orb1685080', 'SCHEMBL4859286', 'SCHEMBL29353048', 'DTXSID901316055', 'HMS2235G09', 'HMS3260J17', 'HMS3649O17', 'HMS5080F04', 'AAA50116', 'BCP28271', 'HY-N0172', 'MSK10401', 'Tox21_200648', 'Tox21_500208', 'BBL012113', 'Caffeic Acid - CAS 331-39-5', 'CCG-38895', 's2277', 'SBB006475', 'STK397812', 'Caffeic acid, >=98.0% (HPLC)', '2-Propenoic acid,4-dihydroxyphenyl)-', 'AKOS000144463', 'AC-8006', 'CS-8205', 'DB01880', 'FC19625', 'LP00208', 'SDCCGMLS-0002982.P003', 'SDCCGSBI-0050196.P004', 'NCGC00017364-04', 'NCGC00017364-05', 'NCGC00017364-06', 'NCGC00017364-07', 'NCGC00017364-08', 'NCGC00017364-09', 'NCGC00017364-10', 'NCGC00017364-11', 'NCGC00017364-12', 'NCGC00017364-13', 'NCGC00017364-18', 'NCGC00017364-22', 'NCGC00022654-03', 'NCGC00022654-04', 'NCGC00022654-05', 'NCGC00022654-06', 'NCGC00022654-07', 'NCGC00022654-08', 'NCGC00022654-09', 'NCGC00258202-01', 'NCGC00260893-01', 'NCGC00263641-01', '(E)-3-(3,4-dihydroxyphenyl)acrylicacid', 'AS-10895', 'BP-30112', 'CAS-331-39-5', 'SMR004703501', 'ST057529', 'XC164210', 'Caffeic acid, purum, >=95.0% (HPLC)', 'DB-318886', 'DB-321780', 'HY-121231', 'AB00490047', 'CS-0081280', 'EU-0100208', 'NS00010313', 'SW197202-3', '(E)-3-(3,4-dihydroxyphenyl)prop-2-enoicacid', 'C 0625', 'C01197', 'C01481', 'EN300-1067793', '(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid', 'AR-360/40806927', 'Q414116', 'SR-01000000203-2', 'SR-01000000203-6', 'SR-01000000203-7', 'SR-01000000203-8', 'BRD-K09900591-001-06-9', 'BRD-K09900591-001-25-9', 'BRD-K09900591-001-26-7', 'SR-01000000203-13', 'CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]', 'F3096-1708', 'Z240113804', "2',3-DIHYDROXY-4,4',6'-TRIMETHOXYCHALCONE_met021", "2',4-DIHYDROXY-3,4',6'-TRIMETHOXYCHALCONE_met023", '8B3E4DA7-F3B0-4972-A315-2E387071737F', 'trans-Caffeic acid, certified reference material, TraceCERT(R)', 'Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC)', 'Caffeic acid, United States Pharmacopeia (USP) Reference Standard', 'Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), powder, light beige', '3-(3,4-Dihydroxyphenyl)-2-propenoic acid;3,4-Dihydroxycinnamic acid;3,4-Dihydroxybenzeneacrylic acid', 'InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2'] |
From Pubchem