General Information of the Compound
| Compound ID |
CP0479034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR,9R,10aR)-6,6-Dimethyl-3-(2-oxa-6-aza-tricyclo[3.3.1.1*3,7*]dec-6-yl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,9-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31NO4
|
||||||||||||||||||
| Molecular Weight |
385.504
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)N1C2CC3CC1CC(C2)O3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31NO4/c1-23(2)19-4-3-15(25)11-18(19)22-20(26)9-14(10-21(22)28-23)24-12-5-16-7-13(24)8-17(6-12)27-16/h9-10,12-13,15-19,25-26H,3-8,11H2,1-2H3/t12?,13?,15-,16?,17?,18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBXCUQWWPZCILV-CSGPRAOESA-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: PT01998, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2