General Characteristics
2D structure
NatID 1124
Common Name NatID_1124
Molecular Formula C19H24O7
Chemical Class Dihydrofurans > Furanones
Molecular Weight 364.152 g/mol
Other names

 

Representations
Smiles C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2
Inchi InChI=1S/C19H24O7/c1-10(2)16(21)24-13-7-11(3)19(23)6-5-18(4,26-19)8-14-15(13)12(9-20)17(22)25-14/h8,11,13,20,23H,1,5-7,9H2,2-4H3/b14-8+/t11-,13+,18-,19+/m1/s1
Inchi Key VSNXXZXCVFUXKD-LYUOXOCJSA-N
3D Structure

 

Calculated Properties
clogP 1.50
TPSA 102.29
HBD 2
HBA 7
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 26
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
9307 Vernonanthura pinguis No Unknown Borkosky, S., Bardón, A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1997). Glaucolides, hirsutinolides and other sesquiterpene lactones from Vernonanthura pinguis. Phytochemistry, 44(3), 465–470. https://doi.org/10.1016/s0031-9422(96)00481-5

 

Bioassay ID NPASS ID Target Activity type Activity