General Characteristics
2D structure
NatID 1706
Common Name NatID_1706
Molecular Formula C16H24O3
Chemical Class Carboxylic acids and derivatives > Carboxylic acid derivatives
Molecular Weight 264.173 g/mol
Other names 150375-23-8

 

Representations
Smiles COC(=O)CC1=C(C(C)=O)CC(C)(C)C[C@H]2C[C@@]12C
Inchi InChI=1S/C16H24O3/c1-10(17)12-9-15(2,3)7-11-8-16(11,4)13(12)6-14(18)19-5/h11H,6-9H2,1-5H3/t11-,16+/m0/s1
Inchi Key VYLMIBLQFMHGPL-MEDUHNTESA-N
3D Structure

 

Calculated Properties
clogP 3.28
TPSA 43.37
HBD 0
HBA 3
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 19
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10428 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