General Characteristics
2D structure
NatID 1764
Common Name NatID_1764
Molecular Formula C19H24O3
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 300.173 g/mol
Other names 101622-79-1

 

Representations
Smiles CC(C)=CCC/C(C)=C/CC1(O)Oc2cccc(C)c2C1=O
Inchi InChI=1S/C19H24O3/c1-13(2)7-5-8-14(3)11-12-19(21)18(20)17-15(4)9-6-10-16(17)22-19/h6-7,9-11,21H,5,8,12H2,1-4H3/b14-11+
Inchi Key LYYYGBZWTAWUFH-SDNWHVSQSA-N
3D Structure

 

Calculated Properties
clogP 4.34
TPSA 46.53
HBD 1
HBA 3
Rotatable Bonds 5
Aromatic Rings 1
Heavy Atoms 22
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10489 Mutisia friesiana No Low Viturro, C. I., de la Fuente, J. R., & Maier, M. S. (2004). 5-Methylcoumaranones from Mutisia friesiana and Their Bioactivity. Journal of Natural Products, 67(5), 778–782. https://doi.org/10.1021/np0304058

 

Bioassay ID NPASS ID Target Activity type Activity