Phyto4Health

Gramine

Representations & DB's id
ChEBI: None
ChEMBL: CHEMBL254348
PubChem: 6890
IUPAC: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine
Standard InChI: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
Standard InChI Key: OCDGBSUVYYVKQZ-UHFFFAOYSA-N
SMILES: CN(Cc1c[nH]c2c1cccc2)C

Molecular propeties
AlogP: 2.23
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 2
Number of rings: 2
Molecular Weight: 174.12
Topological polar surface area: 19
Number of aromatic rings: 2
Fsp3: 0.273
Number of carbons: 11

Plant sources

Part of plant Plant name Ref.
PlantOryza sativa
Sprout SeedlingHordeum vulgare
LeafHordeum vulgare
ProtoplastHordeum vulgare
RootHordeum vulgare
ShootHordeum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency31622.8 nMLysine-specific demethylase 4D-likeB2RXH2
Potency15848.9 nMThyroid stimulating hormone receptorP16473
Potency31622.8 nMCytochrome P450 2C19P33261
Potency39810.7 nMAldehyde dehydrogenase 1A1P00352
Potency15848.9 nMAldehyde dehydrogenase 1A1P00352
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency15848.9 nMCytochrome P450 3A4P08684
Potency10000 nMCytochrome P450 2D6P10635
Potency3162.3 nMCytochrome P450 3A4P08684
Potency158.5 nMCytochrome P450 2D6P10635
Potency15848.9 nMCytochrome P450 3A4P08684
Potency3162.3 nMCytochrome P450 3A4P08684
Potency6513.1 nMNuclear factor erythroid 2-related factor 2Q16236
Potency707.9 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8