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Compound Summary

Cryptochlorogenic acid

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	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	50.000000000000000	umol/L			15.230000000000000				S	N2		33683565	Active

Experimental Data Visualization

Cryptochlorogenic acid

Statistics Data

Cryptochlorogenic acid

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	15.230000000000000		1	1

Statistics Data Visualization

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

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

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

Cryptochlorogenic acid

905-99-7

4-Caffeoylquinic acid

4-O-Caffeoylquinic acid

4-Cqa

More...