General Characteristics
2D structure
NatID 176
Common Name Elaphopilosin A
Molecular Formula C28H36O8
Chemical Class Organooxygen compounds > Carbonyl compounds
Molecular Weight 500.241 g/mol
Other names

 

Representations
Smiles CCCC(=O)C1=C(O)C(C)(CC=C(C)C)C(O)=C(Cc2c(OC)cc(O)c(C(=O)CCC)c2O)C1=O
Inchi InChI=1S/C28H36O8/c1-7-9-18(29)22-20(31)14-21(36-6)16(24(22)32)13-17-25(33)23(19(30)10-8-2)27(35)28(5,26(17)34)12-11-15(3)4/h11,14,31-32,34-35H,7-10,12-13H2,1-6H3
Inchi Key NUPABJIRWQUBHS-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 5.57
TPSA 141.36
HBD 4
HBA 8
Rotatable Bonds 11
Aromatic Rings 1
Heavy Atoms 36
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
9060 Elaphoglossum piloselloides No Very High Socolsky, C., Borkosky, S. A., Asakawa, Y., & Bardón, A. (2009). Molluscicidal Phloroglucinols from the Fern Elaphoglossum piloselloides. Journal of Natural Products, 72(4), 787–790. https://doi.org/10.1021/np800724h

 

Bioassay ID NPASS ID Target Activity type Activity