General Characteristics
2D structure
NatID 1598
Common Name NatID_1598
Molecular Formula C22H26O6
Chemical Class Organooxygen compounds > Carbonyl compounds
Molecular Weight 386.173 g/mol
Other names 68143-85-1

 

Representations
Smiles C/C=C/c1ccc(OC(C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
Inchi InChI=1S/C22H26O6/c1-7-8-15-9-10-17(18(11-15)24-3)28-14(2)21(23)16-12-19(25-4)22(27-6)20(13-16)26-5/h7-14H,1-6H3/b8-7+
Inchi Key UWSPBGKTPVZWIB-BQYQJAHWSA-N
3D Structure

 

Calculated Properties
clogP 4.40
TPSA 63.22
HBD 0
HBA 6
Rotatable Bonds 9
Aromatic Rings 2
Heavy Atoms 28
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10286 Virola surinamensis No Low Zacchino, S. A., & Badano, H. (1985). Stereoselective Synthesis of 8.0.4’ Neolignans: (±)-Surinamensin and (±)-Virolin. Journal of Natural Products, 48(5), 830–832. https://doi.org/10.1021/np50041a024

 

Bioassay ID NPASS ID Target Activity type Activity