General Characteristics
2D structure
NatID 1765
Common Name NatID_1765
Molecular Formula C24H30O5
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 398.209 g/mol
Other names 118448-93-4

 

Representations
Smiles CC(C)=CC(O)C(=O)C(C)=CCCC(C)=CCC1(O)Oc2cccc(C)c2C1=O
Inchi InChI=1S/C24H30O5/c1-15(2)14-19(25)22(26)18(5)10-6-8-16(3)12-13-24(28)23(27)21-17(4)9-7-11-20(21)29-24/h7,9-12,14,19,25,28H,6,8,13H2,1-5H3
Inchi Key VVBKGKVVVDCESM-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 4.22
TPSA 83.83
HBD 2
HBA 5
Rotatable Bonds 8
Aromatic Rings 1
Heavy Atoms 29
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
10490 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