General Characteristics
2D structure
NatID 1438
Common Name NatID_1438
Molecular Formula C24H20O10
Chemical Class Depsides and depsidones
Molecular Weight 468.106 g/mol
Other names 548-89-0

 

Representations
Smiles Cc1cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)cc(O)c1C(=O)O
Inchi InChI=1S/C24H20O10/c1-10-4-13(25)7-16(26)20(10)23(31)34-15-6-12(3)21(18(28)9-15)24(32)33-14-5-11(2)19(22(29)30)17(27)8-14/h4-9,25-28H,1-3H3,(H,29,30)
Inchi Key ATQPZSQVWCPVGV-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.57
TPSA 170.82
HBD 5
HBA 9
Rotatable Bonds 5
Aromatic Rings 3
Heavy Atoms 34
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
10073 Punctelia No Low Maier, M. S., González Marimon, D. I., Stortz, C. A., & Adler, M. T. (1999). A Revised Structure for (−)-Dihydropertusaric Acid, a γ-Butyrolactone Acid from the Lichen Punctelia microsticta. Journal of Natural Products, 62(11), 1565–1567. https://doi.org/10.1021/np990110n

 

Bioassay ID NPASS ID Target Activity type Activity