General Information of the Compound
| Compound ID |
CP0396602
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8aR,10aS)-8,8,10a-trimethyl-3-pentyl-6,7,8a,9-tetrahydro-5H-xanthen-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32O2
|
||||||||||||||||||
| Molecular Weight |
316.485
|
||||||||||||||||||
| Canonical SMILES |
CCCCCc1cc(O)c2C[C@@H]3C(C)(C)CCC[C@]3(C)Oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32O2/c1-5-6-7-9-15-12-17(22)16-14-19-20(2,3)10-8-11-21(19,4)23-18(16)13-15/h12-13,19,22H,5-11,14H2,1-4H3/t19-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPTGTVLDBMVBEX-CTNGQTDRSA-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: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT06137, Transient receptor potential cation channel subfamily V member 2
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT00646, Transient receptor potential cation channel, subfamily V, member 3