Adenine; 9H-form, N9-(3-Methyl-2-butenyl)
AlkaPlorer ID: AK238556
Synonym: 9-(3-Methyl-2-butenyl)adenine, 9-Prenyladenine
IUPAC Name: 9-(3-methylbut-2-enyl)purin-6-amine
Structure
SMILES: CC(C)=CCN1C=NC2=C(N)N=CN=C21
InChI: InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-8-9(11)12-5-13-10(8)15/h3,5-6H,4H2,1-2H3,(H2,11,12,13)
InChIKey: QHLQYTNMSXEBIQ-UHFFFAOYSA-N
Reference
New Long‐Chain Esters and Adenine Analogs from the Leaves of Formosan <i>Bridelia balansae</i>
PubChem CID: 10655770
CAS: 5122-38-3
LOTUS: LTS0043152
SuperNatural Ⅲ: SN0305517
COCONUT: CNP0230985
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bridelia balansae | Bridelia | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 203.249
TPSA？: 69.62
MolLogP？: 1.3747
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Adenosylhomocysteinase | IC50 | 930.0 | nM | 10.1021/jm00117a011 |
| Homo sapiens | Adenosylhomocysteinase | Ki | nan | nM | 10.1021/jm00117a011 |
| Mus musculus | Adenosylhomocysteinase | IC50 | nan | nM | 10.1021/jm00117a011 |
| Vaccinia virus | Vaccinia virus | IC50 | 60000.0 | nM | 10.1021/jm00117a011 |