General Characteristics
2D structure
NatID 1711
Common Name NatID_1711
Molecular Formula C15H22O3
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 250.157 g/mol
Other names 655243-24-6

 

Representations
Smiles CC1=C2[C@H](O)C(C)(C)[C@H](O)[C@H]3C[C@@]3(C)[C@H]2CC1=O
Inchi InChI=1S/C15H22O3/c1-7-10(16)5-8-11(7)13(18)14(2,3)12(17)9-6-15(8,9)4/h8-9,12-13,17-18H,5-6H2,1-4H3/t8-,9+,12+,13-,15-/m0/s1
Inchi Key XHCBDRQGSZIZOX-LLSOINDXSA-N
3D Structure

 

Calculated Properties
clogP 1.68
TPSA 57.53
HBD 2
HBA 3
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 18
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10433 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