General Characteristics
2D structure
NatID 657
Common Name Isopolygodial
Molecular Formula C15H22O2
Chemical Class Organic oxides
Molecular Weight 234.162 g/mol
Other names

 

Representations
Smiles CC1(C)CCC[C@]2(C)[C@H](C=O)C(C=O)=CC[C@@H]12
Inchi InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13+,15-/m1/s1
Inchi Key AZJUJOFIHHNCSV-VNHYZAJKSA-N
3D Structure

 

Calculated Properties
clogP 3.16
TPSA 34.14
HBD 0
HBA 2
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9917 Persicaria lapathifolia subsp. brittingeri No High Stewart, P. S., & William Costerton, J. (2001). Antibiotic resistance of bacteria in biofilms. The Lancet, 358(9276), 135–138. https://doi.org/10.1016/s0140-6736(01)05321-1

 

Bioassay ID NPASS ID Target Activity type Activity