General Characteristics
2D structure
NatID 606
Common Name umbelliferone
Molecular Formula C9H6O3
Chemical Class Coumarins and derivatives > Hydroxycoumarins
Molecular Weight 162.032 g/mol
Other names 93-35-6

 

Representations
Smiles O=c1ccc2ccc(O)cc2o1
Inchi InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
Inchi Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 1.50
TPSA 50.44
HBD 1
HBA 3
Rotatable Bonds 0
Aromatic Rings 2
Heavy Atoms 12
Aromatic Carbocycles 1
Aromatic Heterocycles 1
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10460 Hyalis argentea var. latisquama No Low Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u

 

Bioassay ID NPASS ID Target Activity type Activity