General Characteristics
2D structure
NatID 1400
Common Name NatID_1400
Molecular Formula C25H50O
Chemical Class Prenol lipids > Sesterterpenoids
Molecular Weight 366.386 g/mol
Other names

 

Representations
Smiles C/C(=C\CO)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Inchi InChI=1S/C25H50O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h19,21-24,26H,7-18,20H2,1-6H3/b25-19+
Inchi Key IRJHFRKRPYTYCQ-NCELDCMTSA-N
3D Structure

 

Calculated Properties
clogP 8.17
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 17
Aromatic Rings 0
Heavy Atoms 26
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9986 Croton hieronymi No High Catalán, C. A. N., de Heluani, C. S., Kotowicz, C., Gedris, T. E., & Herz, W. (2003). A linear sesterterpene, two squalene derivatives and two peptide derivatives from Croton hieronymi. Phytochemistry, 64(2), 625–629. https://doi.org/10.1016/s0031-9422(03)00202-4

 

Bioassay ID NPASS ID Target Activity type Activity