Molecule

Zeatin; (E)-form, Deoxy

AlkaPlorer ID: AK016824

Synonym: N-(3-Methyl-2-butenyl)-1H-purin-6-amine, 6-(3-Methyl-2-butenylamino)purine, N6-Prenyladenine, 6-(γ,γ-Dimethylallylamino)purine, N6-(3-Methyl-2-butenyl)adenine, N6-Isopentenyladenine, Deoxyzeatin, Bryokinin, Eriadenine

IUPAC Name: N-(3-methylbut-2-enyl)-7H-purin-6-amine

Structure

SMILES: CC(C)=CCNC1=C2N=CN=C2NC=N1

InChI: InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)

InChIKey: HYVABZIGRDEKCD-UHFFFAOYSA-N

Reference

Identification and Concentration of Endogenous Cytokinins in Carrots (Daucus carota L.) as Influenced by Development and a Circadian Rhythm

PubChem CID: 92180

CAS: 2365-40-4

LOTUS: LTS0061765

COCONUT: CNP0256675

{

NPAtlas: NPA005083

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Corynebacterium	Corynebacteriaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria
Pseudomonas amygdali	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 203.24900000000005

TPSA？: 66.49000000000001

MolLogP？: 1.6825999999999997

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Enterovirus A71	Enterovirus A71	EC50	325000.0	nM	10.1016/j.ejmech.2016.01.036
Homo sapiens	786-0	GI50	100000.0	nM	None
Homo sapiens	A498	GI50	100000.0	nM	None
Homo sapiens	A549	GI50	100000.0	nM	None
Homo sapiens	ACHN	GI50	100000.0	nM	None
Homo sapiens	BT-549	GI50	100000.0	nM	None
Homo sapiens	CAKI-1	GI50	100000.0	nM	None
Homo sapiens	CCRF-CEM	GI50	100000.0	nM	None
Homo sapiens	COLO 205	GI50	100000.0	nM	None
Homo sapiens	Cyclin-dependent kinase 2	Activity	nan	None	10.1039/C5MD00116A
Homo sapiens	Cyclin-dependent kinase 2	Kd	35000.0	nM	10.1039/C5MD00116A
Homo sapiens	Cytochrome P450 1A2	AC50	6309.57	nM	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	DU-145	GI50	100000.0	nM	None
Homo sapiens	EKVX	GI50	100000.0	nM	None
Homo sapiens	HCT-116	GI50	100000.0	nM	None
Homo sapiens	HCT-15	GI50	100000.0	nM	None
Homo sapiens	HL-60	GI50	100000.0	nM	None
Homo sapiens	HOP-62	GI50	100000.0	nM	None
Homo sapiens	HOP-92	GI50	100000.0	nM	None
Homo sapiens	Hs-578T	GI50	100000.0	nM	None
Homo sapiens	HT-29	GI50	100000.0	nM	None
Homo sapiens	IGROV-1	GI50	100000.0	nM	None
Homo sapiens	K562	GI50	100000.0	nM	None
Homo sapiens	KM12	GI50	99770.01	nM	None
Homo sapiens	LOX IMVI	GI50	100000.0	nM	None
Homo sapiens	M14	GI50	100000.0	nM	None
Homo sapiens	Malme-3M	GI50	100000.0	nM	None
Homo sapiens	MCF7	GI50	100000.0	nM	None
Homo sapiens	MDA-MB-231	GI50	100000.0	nM	None
Homo sapiens	MDA-MB-435	GI50	100000.0	nM	None
Homo sapiens	MDA-N	GI50	100000.0	nM	None
Homo sapiens	MOLT-4	GI50	100000.0	nM	None
Homo sapiens	NCI/ADR-RES	GI50	100000.0	nM	None
Homo sapiens	NCI-H226	GI50	90157.11	nM	None
Homo sapiens	NCI-H23	GI50	100000.0	nM	None
Homo sapiens	NCI-H322M	GI50	100000.0	nM	None
Homo sapiens	NCI-H460	GI50	100000.0	nM	None
Homo sapiens	NCI-H522	GI50	100000.0	nM	None
Homo sapiens	OVCAR-3	GI50	100000.0	nM	None
Homo sapiens	OVCAR-4	GI50	100000.0	nM	None
Homo sapiens	OVCAR-5	GI50	100000.0	nM	None
Homo sapiens	OVCAR-8	GI50	100000.0	nM	None
Homo sapiens	PC-3	GI50	100000.0	nM	None
Homo sapiens	RD	CC50	325000.0	nM	10.1016/j.ejmech.2016.01.036
Homo sapiens	RPMI-8226	GI50	100000.0	nM	None
Homo sapiens	RXF 393	GI50	100000.0	nM	None
Homo sapiens	SF-268	GI50	100000.0	nM	None
Homo sapiens	SF-295	GI50	100000.0	nM	None
Homo sapiens	SF-539	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-2	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-28	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-5	GI50	87700.08	nM	None
Homo sapiens	SK-OV-3	GI50	100000.0	nM	None
Homo sapiens	SN12C	GI50	100000.0	nM	None
Homo sapiens	SNB-19	GI50	100000.0	nM	None
Homo sapiens	SNB-75	GI50	100000.0	nM	None
Homo sapiens	SR	GI50	100000.0	nM	None
Homo sapiens	SW-620	GI50	100000.0	nM	None
Homo sapiens	T47D	GI50	100000.0	nM	None
Homo sapiens	TK-10	GI50	100000.0	nM	None
Homo sapiens	U-251	GI50	100000.0	nM	None
Homo sapiens	UACC-257	GI50	37068.07	nM	None
Homo sapiens	UACC-62	GI50	88511.56	nM	None
Homo sapiens	UO-31	GI50	100000.0	nM	None
Zea mays	Cytokinin dehydrogenase 1	Kcat	0.208	/s	10.1016/j.bmc.2009.01.041
Zea mays	Cytokinin dehydrogenase 1	Kcat/Km	0.1156	None	10.1016/j.bmc.2009.01.041
Zea mays	Cytokinin dehydrogenase 1	Km	1800.0	nM	10.1016/j.bmc.2009.01.041
None	Unchecked	Ratio CC50/EC50	nan	None	10.1016/j.ejmech.2016.01.036

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT004995	CC(C)=CC=O.Nc1ncnc2[nH]cnc12>>CC(C)=CCNc1ncnc2[nH]cnc12	MNXR125739
AKRT005164	CC(C)=CCNc1ncnc2[nH]cnc12.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncn(CCC(N)C(=O)O)c2ncnc1-2	R03726
AKRT005165	CC(C)=CCNc1ncnc2[nH]cnc12.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	MNXR172042
AKRT005166	CC(C)=CCNc1ncnc2[nH]cnc12.OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	R08072
AKRT005167	CC(C)=CCNc1ncnc2[nH]cnc12.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	MNXR173547
AKRT005168	CC(C)=CCNc1ncnc2[nH]cnc12>>C/C(=C\CNc1ncnc2[nH]cnc12)CO	R08068
AKRT005169	CC(C)=CCNc1ncnc2[nH]cnc12>>CC(C)=CC=O	R05708
AKRT005170	CC(C)=CCNc1ncnc2[nH]cnc12>>Nc1ncnc2[nH]cnc12	R05708
AKRT005173	CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>CC(C)=CCNc1ncnc2[nH]cnc12	R08072
AKRT005175	CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>CC(C)=CCNc1ncnc2nc[nH]c12	RXN-4315
AKRT005181	CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)=CCNc1ncnc2nc[nH]c12	RXN-4313
AKRT005186	CC(C)=CCNc1ncnc2nc[nH]c12.C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncn(CCC(N)C(=O)O)c2ncnc1-2	DISCADENINE-SYNTHASE-RXN
AKRT005187	CC(C)=CCNc1ncnc2nc[nH]c12.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>>CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	RXN-4728
AKRT005188	CC(C)=CCNc1ncnc2nc[nH]c12.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>>CC(C)=CCNc1ncnc2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12	RXN-4727
AKRT005189	CC(C)=CCNc1ncnc2nc[nH]c12.OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	RXN-4315
AKRT005190	CC(C)=CCNc1ncnc2nc[nH]c12>>C/C(=C\CNc1ncnc2[nH]cnc12)CO	RXN-4317
AKRT005191	CC(C)=CCNc1ncnc2nc[nH]c12>>CC(C)=CC=O	RXN-4621
AKRT005192	CC(C)=CCNc1ncnc2nc[nH]c12>>Nc1ncnc2[nH]cnc12	RXN-4621