ANDROGRAPHIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O6
Molecular Weight	364.4327
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C(=C\C(O)=O)C(O)=O

InChI

InChIKey=IMDVHFGRDJPERC-YJCGLWNISA-N

InChI=1S/C20H28O6/c1-12-4-7-15-19(2,9-8-16(22)20(15,3)11-21)14(12)6-5-13(18(25)26)10-17(23)24/h5-6,10,14-16,21-22H,1,4,7-9,11H2,2-3H3,(H,23,24)(H,25,26)/b6-5+,13-10-/t14-,15+,16-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O6
Molecular Weight	364.4327
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17329890

Andrographic acid is isolated from Andrographis paniculata, a traditional Chinese medicine (TCM) that has been effectively used for treatment of infection, inflammation, cold, fever, and diarrhea in China.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Secondary metabolites from Andrographis paniculata.	2007-03	17329890

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Andrographic acid did not show significant cytotoxicity to the KB cell line with two (6.5 and 5.1 ug/ml) ED50 values over 20 ug/ml.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:38:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:38:20 GMT 2025`
Record UNII	VJY4586I3K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANDROGRAPHIC ACID

Common Name

English

2-BUTENEDIOIC ACID, 2-((1E)-2-((1R,4AS,5R,6R,8AR)-DECAHYDRO-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHENYL)-, (2Z)-

Preferred Name

English

Code System Code Type Description

FDA UNII

VJY4586I3K

Created by admin on Mon Mar 31 22:38:20 GMT 2025 , Edited by admin on Mon Mar 31 22:38:20 GMT 2025

PRIMARY

CAS

760938-56-5

Created by admin on Mon Mar 31 22:38:20 GMT 2025 , Edited by admin on Mon Mar 31 22:38:20 GMT 2025

PRIMARY

PUBCHEM

16215024

Created by admin on Mon Mar 31 22:38:20 GMT 2025 , Edited by admin on Mon Mar 31 22:38:20 GMT 2025

PRIMARY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/17329890

Approval Year

Conditions

PubMed

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17329890