U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C22H30O6
Molecular Weight 390.47
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOQUASSIN

SMILES

[H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]4([H])C(=O)C(OC)=C(C)[C@]([H])(CC(O)O1)[C@]24C

InChI

InChIKey=BDQNCUODBJZKIY-NUPPOKJBSA-N
InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Anti-tuberculosis activity of quassinoids.
1997 Sep
[Analysis of constituents in Jamaica quassia extract, a natural bittering agent].
2003 Dec
[Examination of original plant of Jamaica quassia extract, a natural bittering agent, based on composition of the constituents].
2009 Feb
Inhibition of CYP1A1 by Quassinoids found in Picrasma excelsa.
2009 Feb
Quassinoid constituents of Quassia amara L. leaf herbal tea. Impact on its antimalarial activity and cytotoxicity.
2009 Oct 29
Plasmodium falciparum: in vitro interaction of quassin and neo-quassin with artesunate, a hemisuccinate derivative of artemisinin.
2010 Apr
Liquid chromatography electrospray ionization tandem mass spectrometric determination of quassin and neoquassin in fruits and vegetables.
2010 Mar 10
Patents
Name Type Language
NEOQUASSIN
MI  
Common Name English
SIMALIKAHEMIACETAL A
Common Name English
NEOQUASSINE
Common Name English
NSC-139168
Code English
NIGAKIHEMIACETAL B
Common Name English
NEOQUASSIN [MI]
Common Name English
PICRASA-2,12-DIENE-1,11-DIONE, 16-HYDROXY-2,12-DIMETHOXY-
Common Name English
Code System Code Type Description
CAS
76-77-7
Created by admin on Sat Dec 16 02:07:18 GMT 2023 , Edited by admin on Sat Dec 16 02:07:18 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
9MQ0P9426V
Created by admin on Sat Dec 16 02:07:18 GMT 2023 , Edited by admin on Sat Dec 16 02:07:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID30878618
Created by admin on Sat Dec 16 02:07:18 GMT 2023 , Edited by admin on Sat Dec 16 02:07:18 GMT 2023
PRIMARY
PUBCHEM
72964
Created by admin on Sat Dec 16 02:07:18 GMT 2023 , Edited by admin on Sat Dec 16 02:07:18 GMT 2023
PRIMARY
NSC
139168
Created by admin on Sat Dec 16 02:07:18 GMT 2023 , Edited by admin on Sat Dec 16 02:07:18 GMT 2023
PRIMARY
MERCK INDEX
m7818
Created by admin on Sat Dec 16 02:07:18 GMT 2023 , Edited by admin on Sat Dec 16 02:07:18 GMT 2023
PRIMARY Merck Index