General Characteristics
2D structure
NatID 622
Common Name deacylcynaropicrin
Molecular Formula C15H18O4
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 262.121 g/mol
Other names

 

Representations
Smiles C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12
Inchi InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1
Inchi Key VPRPYNVJJXOFKZ-SNIKSBKOSA-N
3D Structure

 

Calculated Properties
clogP 0.96
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 19
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9979 Cyclolepis genistoides No High Sosa, A., Fusco, M. R., Rossomando, P., Juárez, A., Robles, S., Petenatti, E., & Pelzer, L. (2011). Anti-inflammatory properties from isolated compounds ofCyclolepis genistoides. Pharmaceutical Biology, 49(7), 675–678. https://doi.org/10.3109/13880200903431467

 

Bioassay ID NPASS ID Target Activity type Activity