General Characteristics
2D structure
NatID 1600
Common Name NatID_1600
Molecular Formula C21H26O5
Chemical Class
Molecular Weight 358.178 g/mol
Other names 76985-30-3

 

Representations
Smiles C/C=C/c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1
Inchi InChI=1S/C21H26O5/c1-6-7-15-8-10-18(19(12-15)24-4)26-14(2)21(22)16-9-11-17(23-3)20(13-16)25-5/h6-14,21-22H,1-5H3/b7-6+/t14-,21+/m1/s1
Inchi Key NUDWCJJMQATDKB-GJXMQXPMSA-N
3D Structure

 

Calculated Properties
clogP 4.25
TPSA 57.15
HBD 1
HBA 5
Rotatable Bonds 8
Aromatic Rings 2
Heavy Atoms 26
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
10288 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