General Characteristics
2D structure
NatID 1405
Common Name NatID_1405
Molecular Formula C16H14O4
Chemical Class Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones
Molecular Weight 270.089 g/mol
Other names

 

Representations
Smiles COc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1O
Inchi InChI=1S/C16H14O4/c1-20-16-14(18)10-8-12(15(16)19)13(17)9-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b9-7+
Inchi Key RMVZCGQXCSTLFG-VQHVLOKHSA-N
3D Structure

 

Calculated Properties
clogP 3.00
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 4
Aromatic Rings 2
Heavy Atoms 20
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
10026 Zuccagnia punctata No High Svetaz, L., Agüero, M., Alvarez, S., Luna, L., Feresin, G., Derita, M., Tapia, A., & Zacchino, S. (2007). Antifungal Activity of Zuccagnia punctata Cav.: Evidence for the Mechanism of Action. Planta Medica, 73(10), 1074–1080. https://doi.org/10.1055/s-2007-981561

 

Bioassay ID NPASS ID Target Activity type Activity