Phyto4Health

2-Methoxy-2-Methylpropane

Representations & DB's id

ChEBI: CHEBI:27642
ChEMBL: CHEMBL1452799
PubChem: 15413
IUPAC: 2-methoxy-2-methylpropane
Standard InChI: InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
Standard InChI Key: BZLVMXJERCGZMT-UHFFFAOYSA-N
SMILES: COC(C)(C)C

Molecular propeties

AlogP: 1.43
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 0
Molecular Weight: 88.09
Topological polar surface area: 9.2
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 5

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency17782.8 nMAldehyde dehydrogenase 1A1P00352