Molecule

Adenine; 6-N-(3-Hydroxybenzyl)

AlkaPlorer ID: AK267928

Synonym: 6N-(3-Hydroxybenzyl)adenine, meta-Topolin

IUPAC Name: 3-[(7H-purin-6-ylamino)methyl]phenol

SMILES: OC1=CC=CC(CNC2=C3N=CN=C3NC=N2)=C1

InChI: InChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)

InChIKey: BUDWTFCZGZYQHZ-UHFFFAOYSA-N

PubChem CID: 11557770

CAS: 75737-38-1

LOTUS: LTS0260936

COCONUT: CNP0291767

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Populus x canadensis	Populus	Salicaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 241.25400000000005

TPSA？: 86.72

MolLogP？: 1.6221999999999996

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Arabidopsis thaliana	Histidine kinase	Activity	nan	None	10.1016/j.bmc.2009.01.041
Zea mays	Cytokinin dehydrogenase 1	Kcat	0.244	/s	10.1016/j.bmc.2009.01.041
Zea mays	Cytokinin dehydrogenase 1	Kcat/Km	0.01	None	10.1016/j.bmc.2009.01.041
Zea mays	Cytokinin dehydrogenase 1	Km	24400.0	nM	10.1016/j.bmc.2009.01.041

AKRT ID	Reaction	Reaction Link ID
AKRT024666	O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.Oc1cccc(CNc2ncnc3nc[nH]c23)c1>>OC[C@H]1O[C@@H](Oc2cccc(CNc3ncnc4nc[nH]c34)c2)[C@H](O)[C@@H](O)[C@@H]1O	enzymemap_35659