Cryptochlorogenic acid

CAT: 0931-T6S1537-07Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T6S1537-07Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

905-99-7

Target

MTOR, HIF/HIF Prolyl-Hydroxylase, Antioxidant, NF-κB, Endogenous Metabolite, Nrf2

Related Pathways

PI3K/Akt/mTOR signaling, Immunology/Inflammation, Metabolism, Oxidation-Reduction, Chromatin/Epigenetic, NF-κB

Purity

0.9967

Bioactivity

1. Cryptochlorogenic acid (4-O-Caffeoylquinic acid) has antioxidant activity.

Smiles

O[C@@H]1C[C@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O

Molecular Formula

C16H18O9

Molecular Weight

354.31

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cryptochlorogenic acid

4-O-trans-caffeoylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid. It has a role as a metabolite and a hepatoprotective agent. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a trans-caffeic acid and a (+)-quinic acid.

CAS Number	905-99-7
PubChem CID	9798666
IUPAC Name	trans-(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Molecular Formula	C16H18O9
Molecular Weight	354.31
XLogP	-0.4
Topological Polar Surface Area	165
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	520

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

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

Chemical Structure

2D Structure

CAS: 905-99-7

CID: 9798666

Formula: C16H18O9

MW: 354.31

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	354.31
XLogP3	-0.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	354.09508215
Monoisotopic Mass	354.09508215
Topological Polar Surface Area	165 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	520
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19260518	Cryptochlorogenic acid
371320	Cryptochlorogenic acid discontinued
HY-N0787R-01	Cryptochlorogenic acid (Standard)
299832	4-Caffeoylquinic acid/Cryptochlorogenic acid
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid

Cryptochlorogenic acid

Chemical Information

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