(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-hydroxyphenyl)methyl]amino}purin-9-yl)oxolane-3,4-diol
AlkaPlorer ID: AK061395
Synonym: None
IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Structure
SMILES: OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=C(O)C=C4)N=CN=C32)[C@H](O)[C@@H]1O
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)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
InChIKey: UGVIXKXYLBAZND-LSCFUAHRSA-N
Reference
Neuroprotective Principles from <i>Gastrodia </i><i>elata</i>
PubChem CID: 10474479
CAS: 110505-75-4
LOTUS: LTS0200081
SuperNatural Ⅲ: SN0370083-01
NPASS: NPC250178
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gastrodia elata | Gastrodia | Orchidaceae | Asparagales | 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 |
|---|---|---|---|---|---|
| Rattus norvegicus | Adenosine A2a receptor | IC50 | 4660.0 | nM | 10.1021/np0605182 |
| Rattus norvegicus | Adenosine A2a receptor | Ki | 2620.0 | nM | 10.1021/np0605182 |
| Rattus norvegicus | PC-12 | EC50 | 37.0 | nM | 10.1021/np0605182 |
| None | Platelet | IC50 | 6770.0 | nM | 10.1016/j.bmcl.2014.10.080 |