General Characteristics
2D structure
NatID 461
Common Name Elaphogayanin A
Molecular Formula C30H40O8
Chemical Class Organooxygen compounds > Carbonyl compounds
Molecular Weight 528.272 g/mol
Other names

 

Representations
Smiles CCCCCC(=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/C30H40O8/c1-7-9-10-12-21(32)25-27(35)19(28(36)30(5,29(25)37)14-13-17(3)4)15-18-23(38-6)16-22(33)24(26(18)34)20(31)11-8-2/h13,16,33-34,36-37H,7-12,14-15H2,1-6H3
Inchi Key XSCZBWJSJQUXKA-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
9139 Elaphoglossum gayanum No High Socolsky, C., Borkosky, S. A., Hernández de Terán, M., Asakawa, Y., & Bardón, A. (2010). Phloroglucinols from the Argentine Ferns Elaphoglossum gayanum and E. piloselloides. Journal of Natural Products, 73(5), 901–904. https://doi.org/10.1021/np1000208

 

Bioassay ID NPASS ID Target Activity type Activity