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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

COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O

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

Molecular Formula C22H30O6
Molecular Weight 390.47
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Plasmodium falciparum: in vitro interaction of quassin and neo-quassin with artesunate, a hemisuccinate derivative of artemisinin.
2010-04
Liquid chromatography electrospray ionization tandem mass spectrometric determination of quassin and neoquassin in fruits and vegetables.
2010-03-10
Quassinoid constituents of Quassia amara L. leaf herbal tea. Impact on its antimalarial activity and cytotoxicity.
2009-10-29
[Examination of original plant of Jamaica quassia extract, a natural bittering agent, based on composition of the constituents].
2009-02
Inhibition of CYP1A1 by Quassinoids found in Picrasma excelsa.
2009-02
[Analysis of constituents in Jamaica quassia extract, a natural bittering agent].
2003-12
Anti-tuberculosis activity of quassinoids.
1997-09
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:08:28 GMT 2025
Edited
by admin
on Mon Mar 31 21:08:28 GMT 2025
Record UNII
9MQ0P9426V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-139168
Preferred Name English
NEOQUASSIN
MI  
Common Name English
SIMALIKAHEMIACETAL A
Common Name English
NEOQUASSINE
Common Name 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 Mon Mar 31 21:08:28 GMT 2025 , Edited by admin on Mon Mar 31 21:08:28 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
9MQ0P9426V
Created by admin on Mon Mar 31 21:08:28 GMT 2025 , Edited by admin on Mon Mar 31 21:08:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID30878618
Created by admin on Mon Mar 31 21:08:28 GMT 2025 , Edited by admin on Mon Mar 31 21:08:28 GMT 2025
PRIMARY
PUBCHEM
72964
Created by admin on Mon Mar 31 21:08:28 GMT 2025 , Edited by admin on Mon Mar 31 21:08:28 GMT 2025
PRIMARY
NSC
139168
Created by admin on Mon Mar 31 21:08:28 GMT 2025 , Edited by admin on Mon Mar 31 21:08:28 GMT 2025
PRIMARY
MERCK INDEX
m7818
Created by admin on Mon Mar 31 21:08:28 GMT 2025 , Edited by admin on Mon Mar 31 21:08:28 GMT 2025
PRIMARY Merck Index