General Characteristics
2D structure
NatID 535
Common Name platyphyllide
Molecular Formula C14H14O2
Chemical Class Benzofurans > Benzofuranones
Molecular Weight 214.099 g/mol
Other names

 

Representations
Smiles C=C(C)[C@H]1CCc2cccc3c2[C@H]1OC3=O
Inchi InChI=1S/C14H14O2/c1-8(2)10-7-6-9-4-3-5-11-12(9)13(10)16-14(11)15/h3-5,10,13H,1,6-7H2,2H3/t10-,13+/m1/s1
Inchi Key HPRUINVTECPGHJ-MFKMUULPSA-N
3D Structure

 

Calculated Properties
clogP 3.04
TPSA 26.30
HBD 0
HBA 2
Rotatable Bonds 1
Aromatic Rings 1
Heavy Atoms 16
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9886 Senecio gilliesianus No High Guidugli, F. H., Pestchanker, M. J., De Salmeron, M. S. A., & Giordano, O. S. (1986). 1-Hydroxyplatyphyllide, a norsesquiterpene lactone from Senecio gilliesiano. Phytochemistry, 25(8), 1923–1926. https://doi.org/10.1016/s0031-9422(00)81175-9

 

Bioassay ID NPASS ID Target Activity type Activity