General Characteristics
2D structure
NatID 1599
Common Name NatID_1599
Molecular Formula C21H24O5
Chemical Class Organooxygen compounds > Carbonyl compounds
Molecular Weight 356.162 g/mol
Other names 68143-86-2

 

Representations
Smiles C/C=C/c1ccc(OC(C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1
Inchi InChI=1S/C21H24O5/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/h6-14H,1-5H3/b7-6+
Inchi Key IQQVVIZXMFMANE-VOTSOKGWSA-N
3D Structure

 

Calculated Properties
clogP 4.40
TPSA 53.99
HBD 0
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
10287 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