General Characteristics
2D structure
NatID 1709
Common Name NatID_1709
Molecular Formula C15H20O2
Chemical Class Organooxygen compounds > Carbonyl compounds
Molecular Weight 232.146 g/mol
Other names 176678-78-7

 

Representations
Smiles CC1(C)C=C2C(=CC(=O)[C@@]2(C)O)[C@]2(C)C[C@@H]2C1
Inchi InChI=1S/C15H20O2/c1-13(2)6-9-7-14(9,3)10-5-12(16)15(4,17)11(10)8-13/h5,8-9,17H,6-7H2,1-4H3/t9-,14+,15-/m0/s1
Inchi Key QPOZXRYBUZKPPP-AMFBXLIHSA-N
3D Structure

 

Calculated Properties
clogP 2.63
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
10431 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