General Characteristics
2D structure
NatID 682
Common Name ent-8(14),15-pimaradiene-3β,18-diol
Molecular Formula C20H32O2
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 304.240 g/mol
Other names

 

Representations
Smiles C=C[C@]1(C)C=C2CCC3[C@@](C)(CC[C@@H](O)[C@]3(C)CO)[C@@H]2CC1
Inchi InChI=1S/C20H32O2/c1-5-18(2)10-8-15-14(12-18)6-7-16-19(15,3)11-9-17(22)20(16,4)13-21/h5,12,15-17,21-22H,1,6-11,13H2,2-4H3/t15-,16?,17-,18+,19+,20-/m1/s1
Inchi Key OJSKJQFODPKTBT-JZMYCOCJSA-N
3D Structure

 

Calculated Properties
clogP 4.08
TPSA 40.46
HBD 2
HBA 2
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 22
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9688 Gochnatia glutinosa No Very High García, E. E., Guerreiro, E., & Joseph-Nathan, P. (1985). Ent-pimaradiene diterpenes from gochnatia glutinosa. Phytochemistry, 24(12), 3059–3060. https://doi.org/10.1016/0031-9422(85)80059-5

 

Bioassay ID NPASS ID Target Activity type Activity