Phyto4Health

2,2-Dimethylbutane

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL142735
PubChem: 6403
IUPAC: 2,2-dimethylbutane
Standard InChI: InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
Standard InChI Key: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
SMILES: CCC(C)(C)C

Molecular propeties

AlogP: 2.44
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 0
Molecular Weight: 86.11
Topological polar surface area: 0
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 6

Plant sources

Part of plant Plant name Ref.
PlantPanax ginseng

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency10 nMThyroid stimulating hormone receptorP16473
Potency5623.4 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency10 nMThyroid stimulating hormone receptorP16473