Compound Summary

caffeic acid
  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 Dose Unit Control(Avg days) Treatment(Avg days) Avg/Med Lifespan Change(%) Control(Max days) Treatment(Max days) Max Lifespan Change(%) Significant Strain Gender PubMed Avg/Med Lifespan Change tab
Caenorhabditis elegans 500.000000000000000 umol/L 17.210000000000000 19.890000000000000 15.570000000000000 S N2 33432954 Active
Caenorhabditis elegans 200.000000000000000 umol/L 16.400000000000000 19.000000000000000 0.160000000000000 26.900000000000000 30.000000000000000 0.120000000000000 S N2 33802064 Active
Caenorhabditis elegans 300.000000000000000 umol/L 17.210000000000000 20.260000000000000 17.720000000000000 S N2 33432954 Active
Caenorhabditis elegans 100.000000000000000 umol/L 17.210000000000000 18.630000000000000 8.250000000000000 NS N2 33432954 Inactive
Caenorhabditis elegans 300.000000000000000 umol/L 11.000000000000000 S N2 21503726 Active
Drosophila melanogaster 0.200000000000000 mg/mL 45.100000000000000 49.300000000000000 0.090000000000000 64.200000000000000 67.000000000000000 0.040000000000000 S w1118 32966485 Active
Caenorhabditis elegans 700.000000000000000 umol/L 17.210000000000000 19.160000000000000 11.330000000000000 S N2 33432954 Active
Caenorhabditis elegans 33.000000000000000 umol/L 5.000000000000000 NS N2 24134630 Inactive
Drosophila melanogaster 0.040000000000000 mg/mL 45.100000000000000 48.100000000000000 0.070000000000000 64.200000000000000 64.700000000000000 0.010000000000000 NS w1118 32966485 Inactive
  Experimental Data Visualization
 caffeic acid

  Statistics Data
 caffeic acid

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans 17.720000000000000 0.120000000000000 4 7
Drosophila melanogaster 0.090000000000000 0.040000000000000 1 2
  Statistics Data Visualization
 caffeic acid

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