General Characteristics
2D structure
NatID 1311
Common Name NatID_1311
Molecular Formula C20H34O2
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 306.256 g/mol
Other names

 

Representations
Smiles CC1=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]2(C)[C@@H]1CC/C(C)=C/CO
Inchi InChI=1S/C20H34O2/c1-14(10-11-21)6-8-17-15(2)7-9-18-19(3,4)12-16(22)13-20(17,18)5/h7,10,16-18,21-22H,6,8-9,11-13H2,1-5H3/b14-10+/t16-,17-,18-,20+/m1/s1
Inchi Key HDOKDSAUCWGBQQ-ZXSMNVAJSA-N
3D Structure

 

Calculated Properties
clogP 4.47
TPSA 40.46
HBD 2
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
9630 Baccharis grisebachii No Very High Feresin, G. E., Tapia, A., Gimenez, A., Ravelo, A. G., Zacchino, S., Sortino, M., & Schmeda-Hirschmann, G. (2003). Constituents of the Argentinian medicinal plant Baccharis grisebachii and their antimicrobial activity. Journal of Ethnopharmacology, 89(1), 73–80. https://doi.org/10.1016/s0378-8741(03)00259-9

 

Bioassay ID NPASS ID Target Activity type Activity