General Characteristics
2D structure
NatID 1595
Common Name NatID_1595
Molecular Formula C22H28O6
Chemical Class
Molecular Weight 388.189 g/mol
Other names 68143-82-8 104069-77-4

 

Representations
Smiles C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
Inchi InChI=1S/C22H28O6/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/h7-14,21,23H,1-6H3/b8-7+/t14-,21+/m0/s1
Inchi Key LNEPYGTUEWFPKT-XSPAYHLVSA-N
3D Structure

 

Calculated Properties
clogP 4.26
TPSA 66.38
HBD 1
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
10282 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