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Caffeic acid

  • Formula: C9H8O4

  • Molecular weight: 180.16

  • Smiles: C1=CC(=C(C=C1C=CC(=O)O)O)O

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Caffeic acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Caffeic acid

  • First synonym: Caffeic acid

  • Synonyms: caffeic acid,3,4-Dihydroxycinnamic acid,331-39-5,501-16-6,trans-caffeic acid,3,4-Dihydroxybenzeneacrylic acid,3-(3,4-dihydroxyphenyl)acrylic acid,(E)-3-(3,4-dihydroxyphenyl)acrylic acid,(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid,(E)-3,4-dihydroxycinnamic acid,trans-Caffeate,3,4-Dihydroxy-trans-cinnamate,Caffeicacid,2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-,3-(3,4-Dihydroxyphenyl)propenoic acid,Cinnamic acid, 3,4-dihydroxy-,UNII-U2S3A33KVM,3-(3,4-Dihydroxyphenyl)-2-propenoic acid,4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene,4-(2-Carboxyethenyl)-1,2-dihydroxybenzene,NSC 57197,Caffeate,3-(3,4-Dihydroxy phenyl)-2-propenoic acid,CHEMBL145,U2S3A33KVM,2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-,AI3-63211,MLS000069738,CHEBI:16433,3,4-Dihydroxycinnamic acid, predominantly trans,NSC57197,(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid,MFCD00004392,NSC-57197,NSC-623438,SMR000058214,(2E)-3-(3,4-dihydroxyphenyl)acrylic acid,71693-97-5,CCRIS 847,HSDB 7088,SR-01000000203,EINECS 206-361-2,Caffeic acid dehydrogenation homopolymer,CHEBI:36281,caffeic-acid,Caffeic acid pure,Caffeic acid, 1,Caffeic acid polymer,Caffeic Acid,(S),Caffeic acid, trans-,3,4-dihydroxycinnamate,CAFFEIC ACID natural,Opera_ID_1700,Cinnamic acid,4-dihydroxy-,3,4-Dihydroxybenzeneacrylate,SCHEMBL23358,MLS001076493,MLS002207132,MLS002222302,MLS006011849,BIDD:ER0456,SPECTRUM1503987,2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, (2E)-,3,4-Dihydroxycinnamate, XVII,ARONIS023304,BDBM4375,cid_689043,GTPL5155,3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer,ZINC58172,2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer,AMY3943,HMS2235G09,HMS3260J17,HMS3649O17,ACN-S002765,BCP28271,HY-N0172,Tox21_500208,BBL012113,Caffeic Acid - CAS 331-39-5,CCG-38895,NSC623438,s2277,SBB006475,STK397812,Caffeic acid, >=98.0% (HPLC),2-Propenoic acid,4-dihydroxyphenyl)-,AKOS000144463,AC-8006,ACN-035473,CS-8205,DB01880,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,NCGC00017364-22,NCGC00022654-03,NCGC00022654-04,NCGC00022654-05,NCGC00022654-06,NCGC00022654-07,NCGC00022654-08,NCGC00022654-09,NCGC00260893-01,AS-10895,BP-30112,SMR004703501,ST057529,XC164210,Caffeic acid, purum, >=95.0% (HPLC),AB0008394,AB00490047,EU-0100208,N1735,SW197202-3,2-Morpholin-4-yl-isonicotinicacidhydrochloride,C 0625,C-1500,C01197,C01481,(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid,3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer,331C395,A851723,Q414116,SR-01000000203-2,SR-01000000203-6,SR-01000000203-7,SR-01000000203-8,2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI),BRD-K09900591-001-06-9,SR-01000000203-13,2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-,F3096-1708,8B3E4DA7-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,331-89-5

Identifiers / External links

Structure

  • Smiles: C1=CC(=C(C=C1C=CC(=O)O)O)O

  • Isomeric smiles: C1=CC(=C(C=C1/C=C/C(=O)O)O)O

  • 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+

  • Inchikey: QAIPRVGONGVQAS-DUXPYHPUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C9H8O4

  • Molecular weight: 180.16

  • Monoisotopic mass: 180.04225873

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