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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 of ANDROGRAPHIC ACID

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
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

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Secondary metabolites from Andrographis paniculata.
2007-03

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
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.
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