General Characteristics
2D structure
NatID 409
Common Name Anadensin
Molecular Formula C20H32O2
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 304.240 g/mol
Other names 58740-18-4

 

Representations
Smiles CC(C)[C@H]1CC[C@]2(C)C[C@]3(O)C(=CC(=O)[C@H]3C)[C@@H](C)CC[C@@H]12
Inchi InChI=1S/C20H32O2/c1-12(2)15-8-9-19(5)11-20(22)14(4)18(21)10-17(20)13(3)6-7-16(15)19/h10,12-16,22H,6-9,11H2,1-5H3/t13-,14+,15+,16-,19+,20+/m0/s1
Inchi Key JJHOOGDZTIBHQQ-CCOVMOLUSA-N
3D Structure

 

Calculated Properties
clogP 4.37
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
9833 Porella chilensis No High 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