General Characteristics
2D structure
NatID 1793
Common Name Rutacultin
Molecular Formula C16H18O4
Chemical Class Coumarins and derivatives > Pyranocoumarins
Molecular Weight 274.121 g/mol
Other names

 

Representations
Smiles C=CC(C)(C)c1cc2cc(OC)c(OC)cc2oc1=O
Inchi nan
Inchi Key nan
3D Structure

 

Calculated Properties
clogP 3.27
TPSA 48.67
HBD 0
HBA 4
Rotatable Bonds 4
Aromatic Rings 2
Heavy Atoms 20
Aromatic Carbocycles 1
Aromatic Heterocycles 1
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
10518 Helietta apiculata No Unknown Julián Fernández, Leandro Martinez Heredia, Fernando Caracciolo, Daniel Esses, Rodrigo Suarez, Gaston Siless, Concepcion Perez, María Isabel Rodríguez‐Franco, Lucía Fernández, Jorge Palermo, Martín Lavecchia. Chemistry – A European Journal (2024), None:None p.None

 

Bioassay ID NPASS ID Target Activity type Activity