General Characteristics
2D structure
NatID 1713
Common Name NatID_1713
Molecular Formula C14H18O3
Chemical Class Fatty Acyls > Fatty alcohol esters
Molecular Weight 234.126 g/mol
Other names 655243-26-8

 

Representations
Smiles CC1(C)C[C@H]2C[C@H]2C2=CC(=O)O[C@@]3(C)O[C@@]23C1
Inchi InChI=1S/C14H18O3/c1-12(2)6-8-4-9(8)10-5-11(15)16-13(3)14(10,7-12)17-13/h5,8-9H,4,6-7H2,1-3H3/t8-,9-,13+,14+/m1/s1
Inchi Key GDZLNLDEEOHCCG-ZHMYYEFOSA-N
3D Structure

 

Calculated Properties
clogP 2.41
TPSA 38.83
HBD 0
HBA 3
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10435 Porella swartziana No Low Bovi Mitre, G., Kamiya, N., Bardón, A., & Asakawa, Y. (2003). Africane-Type Sesquiterpenoids from the Argentine Liverwort Porella swartziana and Their Antibacterial Activity. Journal of Natural Products, 67(1), 31–36. https://doi.org/10.1021/np030074z

 

Bioassay ID NPASS ID Target Activity type Activity