Compound Summary

  Compound Information
 CHLOROGENIC ACID

Compound Name:

CHLOROGENIC ACID

Compound CID:

1794427

Synonyms:

CHLOROGENIC ACID

327-97-9

3-O-Caffeoylquinic acid

3-(3,4-Dihydroxycinnamoyl)quinic acid

Heriguard

More...

Iupac Name:

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

InChI:

InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1

InChIKey:

CWVRJTMFETXNAD-JUHZACGLSA-N

Canonical Smiles:

C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

Isomeric Smiles:

C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

Molecular Weight:

354.31

Molecular Formula:

C16H18O9

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 CHLOROGENIC ACID

Molecular Weight:

354.31

Molecular Formula:

C16H18O9

Hydrogen Bond Donor Count:

6

Hydrogen Bond Acceptor Count:

9

Rotatable Bond Count:

5

Heavy Atom Count:

25

Complexity:

534

  Synonyms
 CHLOROGENIC ACID

CHLOROGENIC ACID CHLOROGENIC ACID

CHLOROGENIC ACID

327-97-9

3-O-Caffeoylquinic acid

3-(3,4-Dihydroxycinnamoyl)quinic acid

Heriguard

3-Caffeoylquinic acid

Chlorogenate

Hlorogenic acid

NSC-407296

cis-chlorogenic acid

Caffeoyl quinic acid

Caffetannic acid

UNII-318ADP12RI

5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid

(E)-chlorogenic acid

Chlorogenic acid (8CI)

MFCD00003862

NSC-70861

318ADP12RI

CHEMBL284616

(1S,3R,4R,5R)-3-(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

CHEBI:16112

1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate)

Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-

Cyclohexanecarboxylic acid, 3-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy-1,4,5-trihydroxy-, (1S,3R,4R,5R)-

3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid

5-CQA

(1S,3R,4R,5R)-3-{(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid

202650-88-2

trans-5-O-Caffeoylquinic acid

Chlorogenicacid

caffeoylquinic acid

3-O-caffeoyl-D-quinic acid

1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate

3-Caffeoylquinate

5-Caffeoylquinic acid

3-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyloxy 1,4,5-trihydroxycyclohexanecarboxylic acid

5-caffeoyl quinic acid

(1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

(1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

1S-(1alpha,3beta,4alpha,5alpha)-3-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyloxy-1,4,5-trihydroxycyclohexanecarboxylic acid

1S-(1alpha,3beta,4alpha,5alpha)3-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy-1,4,5-trihydroxycyclohexanecarboxylic acid

Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-

cyclohexanecarboxylic acid, 3-(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy-1,4,5-trihydroxy-, (1S,3R,4R,5R)-

Cyclohexanecarboxylic acid, 3-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy-1,4,5-trihydroxy-, 1S-(1alpha,3beta,4alpha,5alpha)-

CP chlorogenic acid

CCRIS 1400

(+)-Chlorogenic acid

Chlorogenic acid MI

EINECS 206-325-6

NSC 70861

NSC 407296

3-trans-Caffeoylquinic acid

Chlorogenic acid WHO-DD

Hlorogenate

Helianthic acid

Igasuric acid

NSC70861

Chlorogenic-acid

NSC407296

Caffeylquinic acid

trans-Caffeic acid 5-o-D-quinate

3-(3,4-Dihydroxycinnamoyl)quinate

Prestwick_112

Hoodia Chinese Extract

Chlorogenic acid, Chiral

Prestwick2_000427

Prestwick3_000427

Spectrum5_000733

bmse000387

Quinic acid, 5-caffeoyl-

SCHEMBL19466

BSPBio_000414

BSPBio_003353

SPECTRUM210800

MLS002153805

BIDD:ER0453

3-CQ

BPBio1_000456

Quinic acid, 3-caffeoyl-, E-

ACon1_000581

CHEBI:95271

Chlorogenic acid (constituent of st. johns wort) DSC

HMS1569E16

HMS1923C11

HMS2096E16

HMS2235F03

HMS3649E06

CHLOROGENIC ACID CRYSTALLINE

ACT03375

ALBB-030169

CGA

HY-N0055

ZINC2138728

BDBM50327036

CC0158

CCG-38471

s2280

AKOS015955866

AC-6032

Chlorogenic acid, >=95% (titration)

CS-3766

DB12029

MCULE-8135887819

SDCCGMLS-0066467.P001

NCGC00168941-01

NCGC00168941-02

NCGC00168941-03

(1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid

(1S,3R,4R,5R)-3-(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID

AS-12284

Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) DSC

Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-

SMR000857273

Chlorogenic acid 1000 microg/mL in Acetone

Chlorogenic acid 10 microg/mL in Acetonitrile

C00852

F16266

J10338

327C979

Q421964

SR-01000841185

SR-01000946600

D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43

SR-01000841185-4

SR-01000946600-1

BRD-K47114202-001-06-2

32CF6D13-8F08-485F-B79E-F8A6AC318E07

Chlorogenic acid, primary pharmaceutical reference standard

Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard

Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard

3-(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid

3-3-(3,4-Dihydroxy-phenyl)-acryloyloxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid

(1R,3S,4S,5S)-3-(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid

(1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

(1S,3R,4R,5R)-3-(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid

(1S,3R,4R,5R)-3-(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid

(1S,3R,4R,5R)-3-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-1,4,5-trihydroxycyclohexanecarboxylic acid

(1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

Cyclohexanecarboxylic acid,3-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy-1,4,5-trihydroxy-,(1S,3R,4R,5R)-

edit(1S,3R,4R,5R)-3-{(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid

  Experimental Data
 CHLOROGENIC 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 5 umol/L NS N2 33683565 Inactive
Caenorhabditis elegans 50 umol/L Unclear N2 33683565
Caenorhabditis elegans 50 umol/L 18.63 21.31 14.38 S N2 34338272 Active
Caenorhabditis elegans 25 umol/L 18.61 20.53 10.32 S N2 34338272 Active
Caenorhabditis elegans 100 umol/L 18.84 20.42 8.39 S N2 34338272 Active
Caenorhabditis elegans 50 umol/L 20.1 14.29 S N2 33683565 Active
Caenorhabditis elegans 500 umol/L 11.35 S N2 33683565 Active
Caenorhabditis elegans 50 umol/L 27.1 S N2 33683565 Active
Saccharomyces cerevisiae 25 umol/L 5.84 8.15 0.4 S DBY746 32481725 Active
Caenorhabditis elegans 2000 umol/L 6.45 Unclear N2 33683565
Caenorhabditis elegans 50 umol/L 25.1 25 S N2 33683565 Active
Caenorhabditis elegans 500 umol/L 16.07 Unclear N2 33683565
Caenorhabditis elegans 10 umol/L 6.83 NS N2 33683565 Inactive
Saccharomyces cerevisiae 10 umol/L 5.84 7.6 0.3 S DBY746 32481725 Active
Caenorhabditis elegans 50 umol/L 27.1 S N2 31201898 Active
Saccharomyces cerevisiae 5 umol/L 5.84 6.4 0.1 NS DBY746 32481725 Inactive
Caenorhabditis elegans 2000 umol/L 6.1 NS N2 33683565 Inactive
  Experimental Data Visualization
 CHLOROGENIC ACID

  Statistics Data
 CHLOROGENIC ACID

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Caenorhabditis elegans 27.1 25 3 14
Saccharomyces cerevisiae 0.4 1 3
  Statistics Data Visualization
 CHLOROGENIC ACID

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