6-Amino-8-hydroxypurine; Oxo-form
AlkaPlorer ID: AK026487
Synonym: None
IUPAC Name: 6-amino-7,9-dihydropurin-8-one
Structure
SMILES: NC1=NC=NC2=C1N=C(O)N2
InChI: InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKey: RGKBRPAAQSHTED-UHFFFAOYSA-N
Reference
6-Methoxy-7-methyl-8-oxoguanine, an Unusual Purine from the Ascidian <i>Symplegma rubra</i>
PubChem CID: 5355054
CAS: 21149-26-8
LOTUS: LTS0103239
NPASS: NPC4837
COCONUT: CNP0167117
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Symplegma rubra | Symplegma | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| Homo sapiens | Homo | Hominidae | Primates | Mammalia | Chordata | Metazoa | Eukaryota |
| None | None | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 151.12900000000002
TPSA？: 100.71
MolLogP？: -0.3593000000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | MEC | 10.0 | uM | 10.1021/jm0203581 |
| None | Unchecked | Ki | 27000.0 | nM | 10.1021/jm9006356 |
| None | Unchecked | Ki | 110000.0 | nM | 10.1021/jm9006356 |
| None | Unchecked | Ratio Ki | 4.1 | None | 10.1021/jm9006356 |