3-FERULOYLQUINIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H20O9
Molecular Weight	368.3353
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\C=C\C(=O)O[C@@H]2C[C@](O)(C[C@@H](O)[C@@H]2O)C(O)=O)=CC=C1O

InChI

InChIKey=RAGZUCNPTLULOL-KQJPBSFVSA-N

InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H20O9
Molecular Weight	368.3353
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17500364

3-O-feruloylquinic acid is a minor component of coffee; also, it is contained in tomato (Lycopersicon esculentum) and sunflower (Helianthus annuus). It was shown that 3-O-feruloylquinic acid possesses anti-AIV (H5N1) activities.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Influenza A virus (H5N1) 2 Target ID: CHEMBL613845 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17500364	Inhibitor 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Isolation of chlorogenic acids and their derivatives from Stemona japonica by preparative HPLC and evaluation of their anti-AIV (H5N1) activity in vitro.	2007-05-16	17500364

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:44:32 GMT 2025` Edited by `admin` on `Mon Mar 31 23:44:32 GMT 2025`
Record UNII	1DG2CT594J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-O-(E)-FERULOYLQUINIC ACID

Preferred Name

English

3-FERULOYLQUINIC ACID

Common Name

English

3-O-FERULOYLQUINIC ACID

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 1,3,4-TRIHYDROXY-5-(((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1R,3R,4S,5R)-

Systematic Name

English

CYCLOHEXANECARBOXYLIC ACID, 1,3,4-TRIHYDROXY-5-((3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1R,3R,4S,5R)-

Systematic Name

English

Code System Code Type Description

CAS

87099-72-7