General Characteristics
2D structure
NatID 414
Common Name Ent-4β,10R-dihydroxyaromadendrane,Ent-4Beta,10Alpha-Dihydroxyaromadendrane
Molecular Formula C15H26O2
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 238.193 g/mol
Other names 70000-15-6

 

Representations
Smiles CC1(C)[C@H]2CC[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@@H]3[C@H]21
Inchi InChI=1S/C15H26O2/c1-13(2)9-5-7-14(3,16)10-6-8-15(4,17)12(10)11(9)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12-,14-,15+/m0/s1
Inchi Key DWNPMJOWAWGIMM-KPRRGPHJSA-N
3D Structure

 

Calculated Properties
clogP 2.58
TPSA 40.46
HBD 2
HBA 2
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9834 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