NaturAr
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General Characteristics
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
Download
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
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity