General Characteristics
2D structure
NatID 1707
Common Name NatID_1707
Molecular Formula C15H22O2
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 234.162 g/mol
Other names 162087-13-0

 

Representations
Smiles CC1(C)C[C@H]2C[C@@]2(C)C2=CC(=O)[C@@](C)(O)[C@@H]2C1
Inchi InChI=1S/C15H22O2/c1-13(2)6-9-7-14(9,3)10-5-12(16)15(4,17)11(10)8-13/h5,9,11,17H,6-8H2,1-4H3/t9-,11+,14+,15-/m0/s1
Inchi Key RQZGCZIEUZCSMD-PVRXDPTQSA-N
3D Structure

 

Calculated Properties
clogP 2.71
TPSA 37.30
HBD 1
HBA 2
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
10429 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