General Characteristics
2D structure
NatID 1132
Common Name NatID_1132
Molecular Formula C19H24O7
Chemical Class Naphthofurans
Molecular Weight 364.152 g/mol
Other names

 

Representations
Smiles C=C(C)C(=O)O[C@H]1C[C@@H](C)C(=O)[C@H]2C[C@](C)(O)[C@H](O)[C@H]3OC(=O)C(=C)[C@@]123
Inchi InChI=1S/C19H24O7/c1-8(2)16(22)25-12-6-9(3)13(20)11-7-18(5,24)14(21)15-19(11,12)10(4)17(23)26-15/h9,11-12,14-15,21,24H,1,4,6-7H2,2-3,5H3/t9-,11-,12+,14-,15-,18+,19+/m1/s1
Inchi Key UMYNHXQURQOBHS-SEKDBJBISA-N
3D Structure

 

Calculated Properties
clogP 0.68
TPSA 110.13
HBD 2
HBA 7
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 26
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
9315 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