General Information of the Compound
| Compound ID |
CP0426380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aS,9bS)-8-methoxy-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H17NO2
|
||||||||||||||||||
| Molecular Weight |
219.284
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2OC[C@@]3(C)NCC[C@H]3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H17NO2/c1-13-8-16-12-4-3-9(15-2)7-10(12)11(13)5-6-14-13/h3-4,7,11,14H,5-6,8H2,1-2H3/t11-,13+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DHUKMBVSSOBFOR-WCQYABFASA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1