General Characteristics
2D structure
NatID 1646
Common Name NatID_1646
Molecular Formula C20H32O2
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 304.240 g/mol
Other names 1282042-38-9

 

Representations
Smiles CC(C)[C@H]1CC[C@]2(C)CC3=C(C(=O)C[C@@]3(C)O)[C@@H](C)CC[C@@H]12
Inchi InChI=1S/C20H32O2/c1-12(2)14-8-9-19(4)10-16-18(13(3)6-7-15(14)19)17(21)11-20(16,5)22/h12-15,22H,6-11H2,1-5H3/t13-,14+,15-,19+,20+/m0/s1
Inchi Key NXIQEZUWFNXIFV-YRYMLKIGSA-N
3D Structure

 

Calculated Properties
clogP 4.52
TPSA 37.30
HBD 1
HBA 2
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 22
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
10344 Porella chilensis No Low Gilabert, M., Ramos, A. N., Schiavone, M. M., Arena, M. E., & Bardón, A. (2011). Bioactive Sesqui- and Diterpenoids from the Argentine LiverwortPorella chilensis. Journal of Natural Products, 74(4), 574–579. https://doi.org/10.1021/np100472d

 

Bioassay ID NPASS ID Target Activity type Activity