Adenosine; 6-N-(2-Hydroxybenzyl)
AlkaPlorer ID: AK283295
Synonym: ortho-Topolin 9-riboside, Cytokinin R
IUPAC Name: 2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Structure
SMILES: OCC1OC(N2C=NC3=C(NCC4=CC=CC=C4O)N=CN=C32)C(O)C1O
InChI: InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)
InChIKey: URVCVGNFSZHAOA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Populus | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.3690000000001
TPSA？: 145.78
MolLogP？: -0.2445000000000002
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ataxin-2 | Potency | 2119.2 | nM | None |
| Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3G | Potency | 31622.8 | nM | None |
| Homo sapiens | Geminin | Potency | 2059.6 | nM | None |
| Homo sapiens | Geminin | Potency | 2310.9 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 3981.1 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 707.9 | nM | None |
| Homo sapiens | HEK293 | Potency | 2238.7 | nM | None |
| Homo sapiens | HepG2 | Potency | 22387.2 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 12995.3 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 1158.2 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 1458.1 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 1778.3 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 14581.0 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 7307.8 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 8912.5 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 18356.4 | nM | None |
| Homo sapiens | Paired box protein Pax-8 | AC50 | 759.0 | nM | None |
| Homo sapiens | Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 | IC50 | 24460.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1299.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1458.1 | nM | None |
| None | Unchecked | AbsAC40 | 3.86 | uM | None |
| None | Unchecked | AC50 | 4790.0 | nM | None |
| None | Unchecked | IC50 | 67471.0 | nM | None |
| None | Unchecked | Potency | 1000.0 | nM | None |
| None | Unchecked | Potency | 1584.9 | nM | None |
| None | Unchecked | Potency | 4109.5 | nM | None |
| None | Unchecked | Potency | 5173.5 | nM | None |
| None | Unchecked | Potency | 9200.0 | nM | None |
| None | Unchecked | Potency | 10000.0 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |