General Characteristics
2D structure
NatID 534
Common Name NatID_534
Molecular Formula C14H16O3
Chemical Class Naphthalenes > Naphthalenecarboxylic acids and derivatives
Molecular Weight 232.110 g/mol
Other names

 

Representations
Smiles CC(C)[C@H]1CCc2c(O)ccc3c2[C@H]1OC3=O
Inchi InChI=1S/C14H16O3/c1-7(2)8-3-4-9-11(15)6-5-10-12(9)13(8)17-14(10)16/h5-8,13,15H,3-4H2,1-2H3/t8-,13+/m1/s1
Inchi Key LUFWQCXBDIXITO-OQPBUACISA-N
3D Structure

 

Calculated Properties
clogP 2.82
TPSA 46.53
HBD 1
HBA 3
Rotatable Bonds 1
Aromatic Rings 1
Heavy Atoms 17
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9887 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