Compound Summary
Compound Information
caffeic acid
Compound Name: | caffeic acid |
Compound CID: | 689043 |
Synonyms: | caffeic acid 3,4-Dihydroxycinnamic acid 331-39-5 501-16-6 trans-caffeic acid More... |
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+ |
InChIKey: | QAIPRVGONGVQAS-DUXPYHPUSA-N |
Canonical 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 |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
caffeic acid
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 13 |
Complexity: | 212 |
Synonyms
caffeic acid
| caffeic acid | caffeic acid |
|---|---|
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 |
Experimental Data
caffeic acid
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 500 | umol/L | 17.21 | 19.89 | 15.57 | S | N2 | 33432954 | Active | ||||
| Caenorhabditis elegans | 200 | umol/L | 16.4 | 19 | 0.16 | 26.9 | 30 | 0.12 | S | N2 | 33802064 | Active | |
| Caenorhabditis elegans | 300 | umol/L | 17.21 | 20.26 | 17.72 | S | N2 | 33432954 | Active | ||||
| Caenorhabditis elegans | 100 | umol/L | 17.21 | 18.63 | 8.25 | NS | N2 | 33432954 | Inactive | ||||
| Caenorhabditis elegans | 300 | umol/L | 11 | S | N2 | 21503726 | Active | ||||||
| Drosophila melanogaster | 0.2 | mg/mL | 45.1 | 49.3 | 0.09 | 64.2 | 67 | 0.04 | S | w1118 | 32966485 | Active | |
| Caenorhabditis elegans | 700 | umol/L | 17.21 | 19.16 | 11.33 | S | N2 | 33432954 | Active | ||||
| Caenorhabditis elegans | 33 | umol/L | 5 | NS | N2 | 24134630 | Inactive | ||||||
| Drosophila melanogaster | 0.04 | mg/mL | 45.1 | 48.1 | 0.07 | 64.2 | 64.7 | 0.01 | NS | w1118 | 32966485 | Inactive |
Experimental Data Visualization
caffeic acid
Statistics Data
caffeic acid
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 17.72 | 0.12 | 4 | 7 |
| Drosophila melanogaster | 0.09 | 0.04 | 1 | 2 |
Statistics Data Visualization
caffeic acid
