General Information of the Compound
Compound ID
CP0851188
Compound Name
morphinone
    Show/Hide
Synonyms
(5alpha)-7,8-Didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-one
28MBK63MAW
3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxy-5alpha-morphinan-6-one
467-02-7
AKOS030240636
BRN 0042464
C01735
CHEBI:16315
CHEMBL255467
CTK1D7902
DTXSID50196907
Didehydro-4,5-alpha-epoxy-3-hydroxy-17-methylmorphinan-6-one
EINECS 207-384-0
LS-92113
MORPHINONE
Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-hydroxy-17-methyl-, (5-alpha)-
Morphinone
SCHEMBL427946
UNII-28MBK63MAW
ZINC4095712
    Show/Hide
Structure
Formula
C17H17NO3
Molecular Weight
283.327
Canonical SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C=C[C@H]3[C@H]1C5
    Show/Hide
InChI
InChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1
    Show/Hide
InChIKey
PFBSOANQDDTNGJ-YNHQPCIGSA-N
CAS
467-02-7
Physicochemical Property
logP
1.4063
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5459823
SID: 123052034
ChEMBL ID
CHEMBL255467
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01515, Mu-type opioid receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 28 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 146 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MORPHINONE )
Drug Name MORPHINONE
Target(s)
Opioid receptor mu (MOP)
 Target Info 
Inhibitor