Bioactive Compound Details

BioIDbio198355
NameCINCHONINE SULFATE
ChEMBL IDCHEMBL2105783
Molecular FormulaC38H46N4O6S
Molecular Weight686.88
Molecular Weight (Monoisotopic)294.1732
TypeSmall molecule
Max PhaseUnknown
Target IDTar81
Target NameNone
SynonymsANHYDROUS CINCHONINE SULFATE|CINCHONINE SULFATE|CINCHONINE SULFATE ANHYDROUS|CINCHONINE SULFATE, ANHYDROUS|CINCHONINE SULPHATE|CINCHONINE, SULFATE (2:1) (SALT)|CINCHONINE, SULPHATE (2:1) (SALT)|CINCHONINUM SULPHURICUM|GNF-PF-3189|TCMDC-123933
SmilesC=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12.O=S(=O)(O)O
InchiInChI=1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18+,19-;/m00./s1
Inchi KeyWBBHOISPYYYBTC-SJFRDBBCSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score0.88
Records Key['CINCHONINE SULFATE']
Records Name['CINCHONINE SULFATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure