General Characteristics
2D structure
NatID 1334
Common Name NatID_1334
Molecular Formula C19H22O3
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 298.157 g/mol
Other names

 

Representations
Smiles CC(C)=CCC/C(C)=C\COc1ccc2ccc(=O)oc2c1
Inchi InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11-
Inchi Key RSDDHGSKLOSQFK-PTNGSMBKSA-N
3D Structure

 

Calculated Properties
clogP 4.86
TPSA 39.44
HBD 0
HBA 3
Rotatable Bonds 6
Aromatic Rings 2
Heavy Atoms 22
Aromatic Carbocycles 1
Aromatic Heterocycles 1
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9662 Baccharis darwinii No Very High Kurdelas, R. R., Lima, B., Tapia, A., Egly Feresin, G., Gonzalez Sierra, M., Rodríguez, M. V., Zacchino, S., Enriz, R. D., & Freile, M. L. (2010). Antifungal Activity of Extracts and Prenylated Coumarins Isolated from Baccharis darwinii Hook & Arn. (Asteraceae). Molecules, 15(7), 4898–4907. https://doi.org/10.3390/molecules15074898

 

Bioassay ID NPASS ID Target Activity type Activity