General Characteristics
2D structure
NatID 32
Common Name Roseostachenone
Molecular Formula C20H32O2
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 304.240 g/mol
Other names

 

Representations
Smiles C=C[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12
Inchi InChI=1S/C20H32O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,17,22H,1,8-11,13H2,2-6H3/t14-,17+,18+,19+,20+/m1/s1
Inchi Key KARUSPOBGJZEMI-SSRYDLFMSA-N
3D Structure

 

Calculated Properties
clogP 4.68
TPSA 37.30
HBD 1
HBA 2
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 22
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9783 Aldama tucumanensis No High Meragelman, K. M., Espinar, L. A., Sosa, V. E., Uriburu, M. L., & de la Fuente, J. R. (1996). Terpenoid constituents of Viguiera tucumanensis. Phytochemistry, 41(2), 499–502. https://doi.org/10.1016/0031-9422(95)00584-6

 

Bioassay ID NPASS ID Target Activity type Activity