General Characteristics
2D structure
NatID 970
Common Name NatID_970
Molecular Formula C30H40O8
Chemical Class Organooxygen compounds > Carbonyl compounds
Molecular Weight 528.272 g/mol
Other names

 

Representations
Smiles CCCCCC(=O)c1c(O)cc(OC)c(CC2=C(O)C(C)(CC=C(C)C)C(O)=C(C(=O)CCC)C2=O)c1O
Inchi InChI=1S/C30H40O8/c1-7-9-10-12-21(32)24-22(33)16-23(38-6)18(26(24)34)15-19-27(35)25(20(31)11-8-2)29(37)30(5,28(19)36)14-13-17(3)4/h13,16,33-34,36-37H,7-12,14-15H2,1-6H3
Inchi Key MSCBLCWICMOXIW-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 6.35
TPSA 141.36
HBD 4
HBA 8
Rotatable Bonds 13
Aromatic Rings 1
Heavy Atoms 38
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
9061 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