(2S,3R,4S,5S)-2-(hydroxymethyl)-5-(6-hydroxypurin-9-yl)oxolane-3,4-diol
AlkaPlorer ID: AK535482
Synonym: None
IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Structure
SMILES: OCC1OC(N2C=NC3=C(O)N=CN=C32)C(O)C1O
InChI: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)
InChIKey: UGQMRVRMYYASKQ-UHFFFAOYSA-N
Reference
Anti-Inflammatory and Antioxidant Components from Hygroryza aristata
PubChem CID: 135402037
CAS: 58-63-9
LOTUS: LTS0117891
COCONUT: CNP0330061.13
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reboulia hemisphaerica | Reboulia | Aytoniaceae | Marchantiales | Marchantiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 268.22900000000004
TPSA？: 133.75
MolLogP？: -1.8566000000000005
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 89125.1 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 11906.1 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 100000.0 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 4610.9 | nM | None |
| Homo sapiens | Parathyroid hormone receptor | Potency | 15848.9 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 10.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 580.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 819.9 | nM | None |
| None | Unchecked | Potency | 5623.4 | nM | None |
| None | Unchecked | Potency | 15848.9 | nM | None |