General Characteristics
2D structure
NatID 244
Common Name 4-Thujanol
Molecular Formula C10H18O
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 154.136 g/mol
Other names 4-Thujanol

 

Representations
Smiles CC(C)[C@]12CC[C@](C)(O)[C@H]1C2
Inchi InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
Inchi Key KXSDPILWMGFJMM-KXUCPTDWSA-N
3D Structure

 

Calculated Properties
clogP 2.19
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 11
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9895 Porophyllum obscurum No High

 

Bioassay ID NPASS ID Target Activity type Activity