Ligand
Ligand Name:   CAFFEIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB695 PubChem:   689043
Synonym(s):  
  •   3,4-dihydroxycinnamic acid
  • 331-39-5
  • 501-16-6
  • 3-(3,4-dihydroxyphenyl)acrylic acid
  • trans-caffeic acid
  • 3,4-dihydroxybenzeneacrylic acid
  • (e)-3-(3,4-dihydroxyphenyl)acrylic acid
  • (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • 3,4-dihydroxy-trans-cinnamate
  • 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-
  • 3-(3,4-dihydroxyphenyl)propenoic acid
  • cinnamic acid, 3,4-dihydroxy-
  • (e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • unii-u2s3a33kvm
  • 3-(3,4-dihydroxyphenyl)-2-propenoic acid
  • 4-(2'-carboxyvinyl)-1,2-dihydroxybenzene
  • 4-(2-carboxyethenyl)-1,2-dihydroxybenzene
  • nsc 57197
  • (e)-3,4-dihydroxycinnamic acid
  • 3-(3,4-dihydroxy phenyl)-2-propenoic acid
  • mfcd00004392
  • chembl145
  • u2s3a33kvm
  • 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, (e)-
  • ai3-63211
  • mls000069738
  • chebi:16433
  • 3,4-dihydroxycinnamic acid, predominantly trans
  • nsc57197
  • nsc-57197
  • nsc-623438
  • smr000058214
  • (2e)-3-(3,4-dihydroxyphenyl)acrylic acid
  • caffeicacid
  • 71693-97-5
  • caffeic-acid
  • ccris 847
  • hsdb 7088
  • sr-01000000203
  • einecs 206-361-2
  • caffeic acid dehydrogenation homopolymer
  • chebi:36281
  • 3,4-dihydroxycinnamic acid, 99+%, predominantly trans isomer
  • caffeic acid, 1
  • caffeic acid polymer
  • caffeic acid,(s)
  • pubchem8262
  • caffeic acid, trans-
  • caffeic acid natural
  • opera_id_1700
  • cinnamic acid,4-dihydroxy-
  • 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
  • caffeic acid, purum, >=95.0% (hplc)
  • ab0008394
  • ab00490047
  • eu-0100208
  • n1735
  • sw197202-3
  • 2-morpholin-4-yl-isonicotinicacidhydrochloride
  • c 0625
  • c01197
  • c01481
  • m-2623
  • (2e)-3-(3,4-dihydroxyphenyl)-2-propenoic acid
  • 3-(3,4-dihydroxyphenyl)-2-propenoic acid polymer
  • 331c395
  • 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
show 144 synonym(s)
DrugBank:   DB01880 ChEMBL:   CHEMBL145
Canonical SMILES:   OC(=O)\C=C\c1ccc(O)c(O)c1
Standard 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+
Molecular Formula:   C9H8O4 Mol. Weight:   180.04225 logP:   1.1956
HBD:   3 HBA:   3
#Rotatable Bonds:   2 TPSA:   77.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Photoactive yellow protein P16113 (PYP_HALHA) Halorhodospira halophila (Ectothiorhodospira halophila) 1KOU DHC
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