General Characteristics
2D structure
NatID 374
Common Name Aurentiamide Acetate
Molecular Formula C27H28N2O4
Chemical Class Benzene and substituted derivatives > Phenethylamines
Molecular Weight 444.205 g/mol
Other names

 

Representations
Smiles CC(=O)OC[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
Inchi InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25-/m1/s1
Inchi Key VZPAURMDJZOGHU-JWQCQUIFSA-N
3D Structure

 

Calculated Properties
clogP 3.32
TPSA 84.50
HBD 2
HBA 4
Rotatable Bonds 10
Aromatic Rings 3
Heavy Atoms 33
Aromatic Carbocycles 3
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9989 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