US9138393, 3-Benzyladenine::US9144538, 3-Benzyladenine
AlkaPlorer ID: AK443927
Synonym: None
IUPAC Name: 2-benzyl-7H-purin-6-amine
Structure
SMILES: NC1=C2N=CN=C2NC(CC2=CC=CC=C2)=N1
InChI: InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17-9(16-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKey: LHPVTMAMEMZFIJ-UHFFFAOYSA-N
Reference
Benzyladenine ribosylglucoside: A metabolite of benzyladenine in Gerbera jamesonii
PubChem CID: 15986830
CAS: 1214-39-7
LOTUS: LTS0217864
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gerbera jamesonii | Gerbera | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 225.255
TPSA？: 80.48
MolLogP？: 1.4775000000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 3A4 | IC50 | 10000.0 | nM | None |