Adenine; 9H-form, 6-N-(3-Hydroxybenzyl), N9-β-D-glucopyranosyl
AlkaPlorer ID: AK282857
Synonym: meta-Topolin 9-glucoside
IUPAC Name: 2-(hydroxymethyl)-6-[6-[(3-hydroxyphenyl)methylamino]purin-9-yl]oxane-3,4,5-triol
Structure
SMILES: OCC1OC(N2C=NC3=C(NCC4=CC=CC(O)=C4)N=CN=C32)C(O)C(O)C1O
InChI: InChI=1S/C18H21N5O6/c24-6-11-13(26)14(27)15(28)18(29-11)23-8-22-12-16(20-7-21-17(12)23)19-5-9-2-1-3-10(25)4-9/h1-4,7-8,11,13-15,18,24-28H,5-6H2,(H,19,20,21)
InChIKey: YNXKWFPNXBSGHP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Populus x canadensis | Populus | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 403.3950000000001
TPSA？: 166.01
MolLogP？: -0.8836000000000006
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|