tubercidin
AlkaPlorer ID: AK004028
Synonym: 'Tubercidin', 'Tubercidine', 'MLS001074702', 'Sparsamycin A', 'Antibiotic XK 101-1', 'U 10071', 'SMR000471894', 'MLSMR', '7-Deazaadenosine', '64526-34-7'
IUPAC Name: (2S,3S,4R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Structure
SMILES: NC1=NC=NC2=C1C=CN2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
InChI: InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m0/s1
InChIKey: HDZZVAMISRMYHH-UGYAYLCHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kadsura induta | Kadsura | Schisandraceae | Austrobaileyales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 266.25699999999995
TPSA？: 126.65
MolLogP？: -1.3750000000000009
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Purine nucleoside phosphorylase | IC50 | 300000.0 | nM | 10.1016/j.bmc.2010.01.022 |
| None | Unchecked | IC50 | 200000.0 | nM | 10.1016/j.bmc.2010.01.022 |
| None | Unchecked | Ratio IC50 | 1.5 | None | 10.1016/j.bmc.2010.01.022 |