General Characteristics
2D structure
NatID 462
Common Name Elaphogayanin B
Molecular Formula C32H44O8
Chemical Class Organooxygen compounds > Carbonyl compounds
Molecular Weight 556.304 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)CCCCC)c2O)C1=O
Inchi InChI=1S/C32H44O8/c1-7-9-11-13-22(33)26-24(35)18-25(40-6)20(28(26)36)17-21-29(37)27(23(34)14-12-10-8-2)31(39)32(5,30(21)38)16-15-19(3)4/h15,18,35-36,38-39H,7-14,16-17H2,1-6H3
Inchi Key GMCQBRQVLLYPRS-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 7.13
TPSA 141.36
HBD 4
HBA 8
Rotatable Bonds 15
Aromatic Rings 1
Heavy Atoms 40
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
9140 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