Bioactive Compound Details

BioIDbio200577
NameCODEINE
ChEMBL IDCHEMBL485
Molecular FormulaC18H21NO3
Molecular Weight299.37
Molecular Weight (Monoisotopic)299.1521
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsCODEINE|CODEINE MONOHYDRATE|CODEINUM|CODEINUM MONOHYDRICUM|Codeine|DEA NO. 9050|IDS-NC-005(SECT.-2)
SmilesCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341
InchiInChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
Inchi KeyOROGSEYTTFOCAN-DNJOTXNNSA-N
Molecular SpeciesBASE
Targets127.0
Bioactivities305.0
Np Likeness Score2.27
Records Key['Codeine', 'codeine', 'Codeine', 'Codeine', '2', 'Codeine', 'Codeine', 'codeine', '112', 'codeine', 'codeine', 'Codeine', 'Codeine', 'Codeine', 'codeine', 'Codeine', 'Codeine', 'codeine', 'Codeine', 'Codiene', '1', '2', 'Codeine', 'Codeine', 'Codeine', '261', 'Codeine', 'codeine', 'Codeine', 'Codeine', 'Codeine', 'codeine', 'codeine', '129', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'codeine', 'Codeine', 'SID144207280', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'CODEINE', 'Codeine', 'CODEINE', 'Codeine (table SVI)', '9 (5R,6S,9R,13S,14R)', 'Codeine', 'codeine', 'codeine', 'CODEINE', 'codeine', '93', 'codeine', 'codeine', 'Codeine', 'Codeine', 'CODEINE', 'Codeine', 'codeine', 'Codeine', 'codeine', 'Codeine', 'Codeine', 'Codeine', 'codeine']
Records Name['10-methoxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol[codeine]', '10-methoxy-4-methyl-(13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol', 'Codeine', 'Codeine', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol (Codeine)', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol', 'Codeine', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7 (18),8,10,15-tetraen-14-ol (codeine)', 'Codeine', 'Codeine', 'Codeine', '14-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-10-ol', 'Codeine', '10-methoxy-4-methyl-(13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-ol', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol (Codeine)', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol (Codeine)', '14-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-10-ol', 'codeine', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol', 'Codeine', '10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol (Codeine)', 'codeine', 'Codeine', 'codeine', 'Codeine', 'Codeine', 'codeine', 'codeine', 'codeine', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'codeine', 'Codeine', 'SID144207280', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'Codeine', 'CODEINE', 'Codeine', 'CODEINE', 'Codeine', '10-methoxy-4-methyl-12-oxa-4-azoniapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure