General Characteristics
2D structure
NatID 1597
Common Name NatID_1597
Molecular Formula C10H12NaO2
Chemical Class Phenols > Methoxyphenols
Molecular Weight 187.073 g/mol
Other names 55435-12-6

 

Representations
Smiles C/C=C/c1ccc(O)c(OC)c1.[Na]
Inchi InChI=1S/C10H12O2.Na/c1-3-4-8-5-6-9(11)10(7-8)12-2;/h3-7,11H,1-2H3;/b4-3+;
Inchi Key ICIJQMIXITYDBE-BJILWQEISA-N
3D Structure

 

Calculated Properties
clogP 2.05
TPSA 29.46
HBD 1
HBA 2
Rotatable Bonds 2
Aromatic Rings 1
Heavy Atoms 13
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
10285 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