| Phytochemical Name : Caffeic Acid |
| PCNDIDC0006 |
| Pubchem CID : 689043 |
| Molecular formula: C9H8O4 |
| Canonical SMILES : C1=CC(=C(C=C1C=CC(=O)O)O)O |
Synonymes : caffeic acid|3,4-Dihydroxycinnamic acid|331-39-5|trans-caffeic acid|501-16-6|3,4-Dihydroxybenzeneacrylic acid|3-(3,4-dihydroxyphenyl)acrylic acid|(E)-3-(3,4-dihydroxyphenyl)acrylic acid|Cinnamic acid, 3,4-dihydroxy-|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid|Caffeicacid|3-(3,4-Dihydroxyphenyl)-2-propenoic acid|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-|4-(2-Carboxyethenyl)-1,2-dihydroxybenzene|(E)-3,4-dihydroxycinnamic acid|trans-Caffeate|CCRIS 847|NSC 57197|3,4-Dihydroxy-trans-cinnamate|3-(3,4-Dihydroxyphenyl)propenoic acid|HSDB 7088|UNII-U2S3A33KVM|4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-|71693-97-5|EINECS 206-361-2|3-(3,4-Dihydroxy phenyl)-2-propenoic acid|U2S3A33KVM|NSC-57197|Caffeate|NSC-623438|CHEBI:16433|(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid|AI3-63211|trans-3,4-Dihydroxycinnamic Acid|NSC57197|331-89-5|CHEMBL145|3-(3,4-dihydroxyphenyl)prop-2-enoic acid|MLS000069738|CHEBI:36281|NSC623438|2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-|SMR000058214|(2E)-3-(3,4-dihydroxyphenyl)acrylic acid|CAFFEIC ACID (IARC)|CAFFEIC ACID [IARC]|MFCD00004392|Caffeic acid - Natural|SR-01000000203|caffeic acid, (E)-isomer|DTXSID5020231|caffeic-acid|Caffeic acid pure|Caffeic acid, 1|Caffeic acid 1000 microg/mL in Acetone|3,4-dihydroxycinnamic acid (caffeic acid)|Caffeic Acid,(S)|Caffeic acid, trans-|3,4-dihydroxycinnamate|CAFFEIC ACID natural|Opera_ID_1700|CAFFEIC ACID [MI]|D00HIB|D0V9EN|CAFFEIC ACID [DSC]|Cinnamic acid,4-dihydroxy-|3,4-Dihydroxycinnamic acid, predominantly trans|CAFFEIC ACID [HSDB]|CAFFEIC ACID [INCI]|3,4-Dihydroxybenzeneacrylate|SCHEMBL23358|3,4-Dihydroxy-cinnamic acid|MLS001076493|MLS002207132|MLS002222302|MLS006011849|BIDD:ER0456|DTXCID10231|SPECTRUM1503987|CAFFEIC ACID [WHO-DD]|2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, (2E)-|3,4-Dihydroxycinnamate, XVII|BDBM4375|cid_689043|GTPL5155|AMY3943|Trans 3,4-Dihydroxycinnamic acid|DTXSID901316055|HMS2235G09|HMS3260J17|HMS3649O17|(C9-H8-O4)x-|BCP28271|HY-N0172|Tox21_200648|Tox21_500208|BBL012113|Caffeic Acid - CAS 331-39-5|CCG-38895|s2277|STK397812|Caffeic acid, >=98.0% (HPLC)|2-Propenoic acid,4-dihydroxyphenyl)-|AKOS000144463|AC-8006|CS-8205|DB01880|LP00208|LS-1204|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|NCGC00258202-01|NCGC00260893-01|(E)-3-(3,4-dihydroxyphenyl)acrylicacid|AS-10895|BP-30112|CAS-331-39-5|SMR004703501|XC164210|4-(2'Carboxyvinyl)-1,2-dihydroxybenzene|Caffeic acid, purum, >=95.0% (HPLC)|AB00490047|EU-0100208|SW197202-3|2-Morpholin-4-yl-isonicotinicacidhydrochloride|2-Propenoic acid, 3-(3,4-dihdroxyphenyl)-|(E)-3-(3,4-dihydroxyphenyl)prop-2-enoicacid|C 0625|C-1500|C01197|C01481|(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid|EN300-1067793|(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid|A851723|CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH)|Q414116|SR-01000000203-2|SR-01000000203-6|SR-01000000203-7|SR-01000000203-8|BRD-K09900591-001-06-9|SR-01000000203-13|CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]|F3096-1708|Z240113804|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 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 0.970 |
| Log Po/w (XLOGP3) : 1.150 |
| Log Po/w (WLOGP) : 1.090 |
| Log Po/w (MLOGP) : 0.700 |
| Log Po/w (SILICOS-IT) : 0.750 |
| Consensus Log Po/w : 0.930 |

