General Characteristics
2D structure
NatID 1024
Common Name NatID_1024
Molecular Formula C29H38O8
Chemical Class Organooxygen compounds > Carbonyl compounds
Molecular Weight 514.257 g/mol
Other names

 

Representations
Smiles CCCC(=O)C1=C(O)C(C)(CC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)C1=O
Inchi InChI=1S/C29H38O8/c1-8-10-19(30)21-23(32)16(5)26(37-7)17(24(21)33)14-18-25(34)22(20(31)11-9-2)28(36)29(6,27(18)35)13-12-15(3)4/h12,32-33,35-36H,8-11,13-14H2,1-7H3
Inchi Key BXXHLIGCIPLUKH-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 5.88
TPSA 141.36
HBD 4
HBA 8
Rotatable Bonds 11
Aromatic Rings 1
Heavy Atoms 37
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
9143 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