General Characteristics
2D structure
NatID 1453
Common Name NatID_1453
Molecular Formula C15H22O3
Chemical Class Naphthofurans
Molecular Weight 250.157 g/mol
Other names 350986-74-2

 

Representations
Smiles CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C(=O)O[C@@H](O)[C@@H]12
Inchi InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h5,10-11,13,17H,4,6-8H2,1-3H3/t10-,11+,13+,15-/m0/s1
Inchi Key SNBMCLVOVBJJOU-MDHDOXDCSA-N
3D Structure

 

Calculated Properties
clogP 2.64
TPSA 46.53
HBD 1
HBA 3
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 18
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10088 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