General Characteristics
2D structure
NatID 626
Common Name oliverine
Molecular Formula C20H21NO4
Chemical Class Aporphines
Molecular Weight 339.147 g/mol
Other names

 

Representations
Smiles COc1ccc2c(c1)[C@H](OC)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C
Inchi InChI=1S/C20H21NO4/c1-21-7-6-11-8-15-20(25-10-24-15)17-13-5-4-12(22-2)9-14(13)19(23-3)18(21)16(11)17/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m0/s1
Inchi Key RRTPHPJGTHCVFW-OALUTQOASA-N
3D Structure

 

Calculated Properties
clogP 3.32
TPSA 40.16
HBD 0
HBA 5
Rotatable Bonds 2
Aromatic Rings 2
Heavy Atoms 25
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9720 Annona emarginata No Very High

 

Bioassay ID NPASS ID Target Activity type Activity