General Characteristics
2D structure
NatID 1507
Common Name NatID_1507
Molecular Formula C15H10O7
Chemical Class Flavonoids > Flavones
Molecular Weight 302.043 g/mol
Other names 117-39-5

 

Representations
Smiles O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Inchi InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
Inchi Key REFJWTPEDVJJIY-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 1.99
TPSA 131.36
HBD 5
HBA 7
Rotatable Bonds 1
Aromatic Rings 3
Heavy Atoms 22
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
10184 Pterocaulon purpurascens No Low Debenedetti, S. L., Nadinic, E. L., Gomez, M. A., & Coussio, J. D. (1987). Polyphenols Isolated from Pterocaulon purpurascens, I. 6-Hydroxyflavonoids. Journal of Natural Products, 50(3), 512–513. https://doi.org/10.1021/np50051a033
10485 Heterophyllaea pustulata No Low Núñez Montoya, S. C., Agnese, A. M., & Cabrera, J. L. (2006). Anthraquinone Derivatives from Heterophyllaea pustulata. Journal of Natural Products, 69(5), 801–803. https://doi.org/10.1021/np050181o

 

Bioassay ID NPASS ID Target Activity type Activity