General Characteristics
2D structure
NatID 533
Common Name 1-metoxyplatyphyllide
Molecular Formula C15H16O3
Chemical Class Naphthalenes > Naphthalenecarboxylic acids and derivatives
Molecular Weight 244.110 g/mol
Other names

 

Representations
Smiles C=C(C)[C@H]1CCc2c(OC)ccc3c2[C@H]1OC3=O
Inchi InChI=1S/C15H16O3/c1-8(2)9-4-5-10-12(17-3)7-6-11-13(10)14(9)18-15(11)16/h6-7,9,14H,1,4-5H2,2-3H3/t9-,14+/m1/s1
Inchi Key SXBVTZHYUSFECD-OTYXRUKQSA-N
3D Structure

 

Calculated Properties
clogP 3.05
TPSA 35.53
HBD 0
HBA 3
Rotatable Bonds 2
Aromatic Rings 1
Heavy Atoms 18
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9885 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