CHLOROGENIC ACID

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18O9
Molecular Weight	354.3087
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CHLOROGENIC ACID

Structure Search

SMILES

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

InChI

InChIKey=CWVRJTMFETXNAD-JUHZACGLSA-N

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

HIDE SMILES / InChI

Molecular Formula	C16H18O9
Molecular Weight	354.3087
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 22:07:22 UTC 2023` Edited by `admin` on `Fri Dec 15 22:07:22 UTC 2023`
Record UNII	318ADP12RI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLOROGENIC ACID

Common Name

English

5-O-(3,4-DIHYDROXYCINNAMOYL)-L-QUINIC ACID

Common Name

English

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

Systematic Name

English

HERIGUARD

Brand Name

English

Chlorogenic acid [WHO-DD]

Common Name

English

TRANS-CAFFEIC ACID 5-O-D-QUINATE

Common Name

English

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.))-

Common Name

English

(+)-CHLOROGENIC ACID

Common Name

English

CP CHLOROGENIC ACID

Brand Name

English

5-CQA

Common Name

English

TRANS-5-O-CAFFEOYLQUINIC ACID

Common Name

English

NSC-407296

Code

English

NSC-70861

Code

English

CHLOROGENIC ACID (CONSTITUENT OF ST. JOHN'S WORT) [DSC]

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1S,3R,4R,5R)-

Common Name

English

CHLOROGENIC ACID [USP-RS]

Common Name

English

CHLOROGENIC ACID [MI]

Common Name

English

CHLOROGENIC ACID (CONSTITUENT OF ECHINACEA ANGUSTIFOLIA ROOT, ECHINACEA PALLIDA ROOT, ECHINACEA PURPUREA ROOT AND ECHINACEA PURPUREA AERIAL PARTS) [DSC]

Common Name

English

TRANS-CHLOROGENIC ACID

Common Name

English

Classification Tree Code System Code

DSLD

354 (Number of products:22)

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

NCI_THESAURUS

C28203

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID3024786

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

PUBCHEM

1794427

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

MESH

D002726

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

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MERCK INDEX

m3413

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

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Merck Index

DAILYMED

318ADP12RI

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

SMS_ID

100000164346

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

CAS

202650-88-2

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

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NSC

407296

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

RXCUI

1311387

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

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RxNorm

CAS

327-97-9

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

DRUG BANK

DB12029

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

FDA UNII

318ADP12RI

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

NCI_THESAURUS

C116073

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

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NCIT

NSC

70861

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

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EVMPD

SUB178745

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

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RS_ITEM_NUM

1115545

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

EVMPD

SUB114543

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

ALTERNATIVE

WIKIPEDIA

CHLOROGENIC ACID

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

CHEBI

16112

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

ECHA (EC/EINECS)

206-325-6

Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023

PRIMARY

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MORINGA OLEIFERA LEAF

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Comments:

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CYNARA SCOLYMUS LEAF

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Interaction Type:

ASSAY (HPLC)

Amount:


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STEVIA REBAUDIUNA LEAF

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Methanol extracts of stevia dry leaves were directly used for LC-MS analysis. Efficient separation and resolution were achieved with diphenyl packing and acetonitrile/water as solvent in the HPLC method. Negative ion mode was used for all MS measurements.

Related Record Type Details


					318ADP12RI

CHLOROGENIC ACID

ACTIVE MOIETY