General Characteristics
2D structure
NatID 1452
Common Name NatID_1452
Molecular Formula C15H22O2
Chemical Class Naphthofurans
Molecular Weight 234.162 g/mol
Other names 23599-47-5

 

Representations
Smiles CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C(=O)OC[C@@H]12
Inchi InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h5,11-12H,4,6-9H2,1-3H3/t11-,12-,15+/m0/s1
Inchi Key UMUMRNRVJNFLPT-SLEUVZQESA-N
3D Structure

 

Calculated Properties
clogP 3.32
TPSA 26.30
HBD 0
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
10087 Drimys winteri No Low Arias, H. R., Feuerbach, D., Schmidt, B., Heydenreich, M., Paz, C., & Ortells, M. O. (2018). Drimane Sesquiterpenoids Noncompetitively Inhibit Human α4β2 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human α3β4 and α7 Subtypes. Journal of Natural Products, 81(4), 811–817. https://doi.org/10.1021/acs.jnatprod.7b00893

 

Bioassay ID NPASS ID Target Activity type Activity