6-Amino-9H-purine-9-propanoic acid
AlkaPlorer ID: AK025215
Synonym: 3-(9-Adeninyl)propionic acid
IUPAC Name: 3-(6-aminopurin-9-yl)propanoic acid
Structure
SMILES: NC1=NC=NC2=C1N=CN2CCC(=O)O
InChI: InChI=1S/C8H9N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)2-1-5(14)15/h3-4H,1-2H2,(H,14,15)(H2,9,10,11)
InChIKey: QXAYJKFBMWMARF-UHFFFAOYSA-N
Reference
Two new constituents from Lentinus edodes
PubChem CID: 255450
CAS: 4244-47-7
LOTUS: LTS0081214
SuperNatural Ⅲ: SN0317511
COCONUT: CNP0402732
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lentinus | Polyporaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 207.193
TPSA？: 106.92
MolLogP？: -0.1168
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Ki | 18500.0 | nM | 10.1021/jm9006356 |
| None | Unchecked | Ki | 20500.0 | nM | 10.1021/jm9006356 |
| None | Unchecked | Ratio Ki | 0.9 | None | 10.1021/jm9006356 |