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1,2-Dimethoxybenzene

Representations & DB's id

ChEBI: CHEBI:59114
ChEMBL: CHEMBL1668603
PubChem: 7043
IUPAC: 1,2-dimethoxybenzene
Standard InChI: InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
Standard InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N
SMILES: COc1ccccc1OC

Molecular propeties

AlogP: 1.7
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 1
Molecular Weight: 138.07
Topological polar surface area: 18.5
Number of aromatic rings: 1
Fsp3: 0.25
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
PlantMatricaria matricarioides

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki10400 nMCarbonic anhydrase IP00915
Ki500 nMCarbonic anhydrase IIP00918
Ki8630 nMCarbonic anhydrase IXQ16790
Ki8360 nMCarbonic anhydrase XIIO43570
Ki14320 nMCarbonic anhydrase IVP22748
Ki234700 nMCarbonic anhydrase VIP23280
Ki10400 nMCarbonic anhydrase IP00915
Ki500 nMCarbonic anhydrase IIP00918
Ki14320 nMCarbonic anhydrase IVP22748
Ki234700 nMCarbonic anhydrase VIP23280
Ki6830 nMCarbonic anhydrase XIVQ9ULX7
Ki7250 nMCarbonic anhydrase VIIP43166