General Characteristics
2D structure
NatID 1757
Common Name NatID_1757
Molecular Formula C11H14O3
Chemical Class Benzene and substituted derivatives > Methoxybenzenes
Molecular Weight 194.094 g/mol
Other names 156767-66-7

 

Representations
Smiles COc1ccc([C@@H]2O[C@@H]2C)cc1OC
Inchi InChI=1S/C11H14O3/c1-7-11(14-7)8-4-5-9(12-2)10(6-8)13-3/h4-7,11H,1-3H3/t7-,11-/m1/s1
Inchi Key UCJMTGYVYMNVLZ-RDDDGLTNSA-N
3D Structure

 

Calculated Properties
clogP 2.16
TPSA 30.99
HBD 0
HBA 3
Rotatable Bonds 3
Aromatic Rings 1
Heavy Atoms 14
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10481 Virola surinamensis No Low Zacchino, S. A. (1994). Enantioselective Route to Threo 8.0.4’-Type Neolignans: Synthesis of (-)-Virolin. Journal of Natural Products, 57(4), 446–451. https://doi.org/10.1021/np50106a002

 

Bioassay ID NPASS ID Target Activity type Activity