General Information of the Compound
Compound ID
CP0851187
Compound Name
oripavine
    Show/Hide
Synonyms
(5alpha)-6,7,8,14-Tetradehydro-4,5-epoxy-6-methoxy-17-methylmorphinan-3-ol
3-O-demethyl-thebaine
4-27-00-02270 (Beilstein Handbook Reference)
467-04-9
575AOU51CR
6,7,8,14-Tetradehydro-4,5-alpha-epoxy-6-methoxy-17-methyl-morphinan-3-ol
BRN 0046094
CHEBI:7782
CHEMBL437602
DEA No. 9330
DTXSID10196908
EINECS 207-385-6
Morphinan-3-ol, 6,7,8,14-tetradehydro-4,5-alpha-epoxy-6-methoxy-17-methyl-
ORIPAVINE
Oripavine
Oripavine 0.1 mg/ml in Methanol
SCHEMBL19880919
SCHEMBL37889
UNII-575AOU51CR
ZKLXUUYLEHCAMF-UUWFMWQGSA-N
    Show/Hide
Structure
Formula
C18H19NO3
Molecular Weight
297.354
Canonical SMILES
COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5
    Show/Hide
InChI
InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1
    Show/Hide
InChIKey
ZKLXUUYLEHCAMF-UUWFMWQGSA-N
CAS
467-04-9
Physicochemical Property
logP
2.1215
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
41.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 5462306
SID: 85094286
ChEMBL ID
CHEMBL437602
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 = 277 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 286 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ORIPAVINE )
Drug Name ORIPAVINE
Target(s)
Opioid receptor mu (MOP)
 Target Info 
Inhibitor