General Characteristics
2D structure
NatID 628
Common Name guatterine
Molecular Formula C19H19NO4
Chemical Class Aporphines > Hydroxy-7-aporphines
Molecular Weight 325.131 g/mol
Other names

 

Representations
Smiles COc1c2c3c(c4c1OCO4)-c1ccccc1[C@H](O)[C@H]3N(C)CC2
Inchi InChI=1S/C19H19NO4/c1-20-8-7-12-13-14(18-19(17(12)22-2)24-9-23-18)10-5-3-4-6-11(10)16(21)15(13)20/h3-6,15-16,21H,7-9H2,1-2H3/t15-,16-/m0/s1
Inchi Key IMMQQBXZSPYGID-HOTGVXAUSA-N
3D Structure

 

Calculated Properties
clogP 2.67
TPSA 51.16
HBD 1
HBA 5
Rotatable Bonds 1
Aromatic Rings 2
Heavy Atoms 24
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9719 Annona emarginata No Very High

 

Bioassay ID NPASS ID Target Activity type Activity