General Information of the Compound
| Compound ID |
CP0211913
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3R)-5-[(E)-(5'S,7'S)-11'-hydroxy-5',7',11'-trimethyldodec-2'-enylidene]-2-methylene-cyclohexane-1,3-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H38O3
|
||||||||||||||||||
| Molecular Weight |
350.543
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](CCCC(C)(C)O)C[C@H](C)C\C=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H38O3/c1-16(13-17(2)10-8-12-22(4,5)25)9-6-7-11-19-14-20(23)18(3)21(24)15-19/h6-7,11,16-17,20-21,23-25H,3,8-10,12-15H2,1-2,4-5H3/b7-6+/t16-,17+,20-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRWOPGUNSVTHDU-ZMBBNFHZSA-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