General Characteristics
2D structure
NatID 1767
Common Name NatID_1767
Molecular Formula C24H32O4
Chemical Class Prenol lipids > Diterpenoids
Molecular Weight 384.230 g/mol
Other names 697234-65-4

 

Representations
Smiles CC(C)=CCC(O)/C(C)=C/CC/C(C)=C/CC1(O)Oc2cccc(C)c2C1=O
Inchi InChI=1S/C24H32O4/c1-16(2)12-13-20(25)18(4)9-6-8-17(3)14-15-24(27)23(26)22-19(5)10-7-11-21(22)28-24/h7,9-12,14,20,25,27H,6,8,13,15H2,1-5H3/b17-14+,18-9+
Inchi Key KAPQAECQDBIIBY-MQRUAEGHSA-N
3D Structure

 

Calculated Properties
clogP 5.04
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 8
Aromatic Rings 1
Heavy Atoms 28
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
10492 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