Compound - Results

Chinin

Java required.


Information Structure
Name Chinin
Synonyms
(-)-Quinine
(8-alpha,9R)-6-Methoxycinchonan-9-ol
(8S,9R)-Quinine
2-Quinuclidinemethanol, Alpha-(6-methoxy-4-quinolyl)-5-vinyl-
6-Methoxycinchonine
CCRIS 5755
Chinin
Chinine
Cinchonan-9-ol, 6-methoxy-, (8alpha,9R)-
EINECS 205-003-2
HSDB 2501
NSC 192949
Quinine
Quinine Anhydrous
ATC C05AE01
P01BC01
M09AA02
CID 441073
CAS 000130950
SMILES COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C
Formula C20H24N2O2
Molweight 324.417
Atoms 28
LogP 3.1111
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A1Inhibitor Inducer 9088578
12451431
1A2Substrate Inhibitor Inducer 9088578
umm
11765139
12451431
2C8Inhibitor 11136296
2C9Inhibitor 9088578
2C19Substrate Inhibitor 9088578
umm
8968357
9088578
2D6Inhibitor 9088578
10460802
1857341
3A4Substrate Inhibitor Inducer 9456308
10381752
12743670
12433805
10579472
12920491
9088578
12433805
9088578
3A5Substrate medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
Phase2 interactions
NameReferences
GST 11807801
Transporter
AC-No.NameReferences
Q86UG4Organic anion-transporting polypeptide 6A1 11807801
Extrarenal fraction 0.85
Elimination half-life 8h