Compound Summary
Compound Information
Cryptochlorogenic acid
Compound Name: | Cryptochlorogenic acid |
Compound CID: | 9798666 |
Synonyms: | Cryptochlorogenic acid 905-99-7 4-Caffeoylquinic acid 4-O-Caffeoylquinic acid 4-Cqa More... |
Iupac Name: | (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid |
InChI: | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1 |
InChIKey: | GYFFKZTYYAFCTR-AVXJPILUSA-N |
Canonical Smiles: | C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O |
Isomeric Smiles: | C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O |
Molecular Weight: | 354.31 |
Molecular Formula: | C16H18O9 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Cryptochlorogenic 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: | 520 |
Synonyms
Cryptochlorogenic acid
| Cryptochlorogenic acid | Cryptochlorogenic acid |
|---|---|
Cryptochlorogenic acid |
905-99-7 |
4-Caffeoylquinic acid |
4-O-Caffeoylquinic acid |
4-Cqa |
Quinic acid 4-O-caffeate |
UNII-F23DJ84IZ9 |
4-O-trans-caffeoylquinic acid |
F23DJ84IZ9 |
CHEMBL4203706 |
4-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid |
MFCD10566638 |
(3R,5R)-4-(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid |
4-(3,4-Dihydroxycinnamoyl)quinic acid |
4-o-Caffeoyl quinic acid |
Cryptochlorogenic-acid |
Quinic acid, 4-caffeoyl- |
4-O-(E)-caffeoylquinic acid |
CHEMBL3092676 |
Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester |
Quinic acid, 4-caffeoyl-, E- |
SCHEMBL18180782 |
SCHEMBL20883249 |
ACon1_000120 |
CHEBI:75491 |
HY-N0787 |
BDBM50455380 |
CC0178 |
s9319 |
ZINC31154929 |
4-O-Caffeoylquinic acid, >=98.0% |
AKOS037514601 |
ZINC100038257 |
ZINC103240311 |
CCG-268076 |
CS-3767 |
MCULE-7852282089 |
NCGC00180861-01 |
(1alpha,3alpha,4alpha,5beta)-4-(3-(3,4-(Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,3,5-trihydroxycyclohexanecarboxylic acid |
(3R,5R)-4-(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-1,3,5-trihydroxy-cyclohexanecarboxylic acid |
BS-17821 |
Cryptochlorogenic acid, analytical standard |
N1745 |
X1114 |
4-Caffeoylquinic acid/ Cryptochlorogenic acid |
905C997 |
Q-100886 |
B0B55D52-5101-4E6D-AA67-72D1CECBAA5A |
Q27145347 |
49B68A4C-6EC9-4441-B7D7-E3B740A8CDEC |
(1alpha,3R,4alpha,5R)-4-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yloxy-1,3,5-trihydroxycyclohexanecarboxylic acid |
(1S,3R,4S,5R)-4-{(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy}-1,3,5-trihydroxycyclohexanecarboxylic acid |
1,3beta,5alpha-Trihydroxy-4alpha-(3,4-dihydroxycinnamoyloxy)cyclohexane-1beta-carboxylic acid |
82638-23-1 |
87099-73-8 |
Cyclohexanecarboxylic acid, 4-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)- |
Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-1R-propenyl)oxy)-1,3,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))- |
Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)- |
Cyclohexanecarboxylic acid, 4-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,3,5-trihydroxy-, (1alpha,3R,4alpha,5R)- |
NCGC00180861-02!(3R,5R)-4-(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid |
rel-(1S,3R,4S,5R)-4-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexanecarboxylic acid |
Experimental Data
Cryptochlorogenic 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 | 50 | umol/L | 15.23 | S | N2 | 33683565 | Active |
Experimental Data Visualization
Cryptochlorogenic acid
Statistics Data
Cryptochlorogenic acid
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 15.23 | 1 | 1 |
Statistics Data Visualization
Cryptochlorogenic acid
