Phyto4Health

Grinimibine

Representations & DB's id
ChEBI: CHEBI:69926
ChEMBL: CHEMBL1477760
PubChem: 96943
IUPAC: 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
Standard InChI: InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3
Standard InChI Key: GAEQWKVGMHUUKO-UHFFFAOYSA-N
SMILES: Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1

Molecular propeties
AlogP: 4.81
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 4
Molecular Weight: 263.13
Topological polar surface area: 25
Number of aromatic rings: 3
Fsp3: 0.222
Number of carbons: 18

Plant sources

Part of plant Plant name Ref.
PlantPanax ginseng
PlantPanax ginseng
PlantPanax ginseng

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency3162.3 nMRas-related protein Rab-9AP51151
Potency17782.8 nMMicrotubule-associated protein tauP10636
Potency3162.3 nMNiemann-Pick C1 proteinO15118
Potency89125.1 nMDNA polymerase betaP06746
Potency56234.1 nMLysine-specific demethylase 4AO75164
Potency29092.9 nMNuclear factor erythroid 2-related factor 2Q16236
Potency10000 nMCellular tumor antigen p53P04637
Potency20587.8 nMATPase family AAA domain-containing protein 5Q96QE3
Potency50118.7 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency18348.9 nMATPase family AAA domain-containing protein 5Q96QE3
Potency18356.4 nMGemininO75496
Potency25929 nMGemininO75496
Potency28183.8 nMGlucagon-like peptide 1 receptorP43220
Potency22387.2 nMTranscriptional regulator ERGP11308