Kinetin
PubChem CID: 3830
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| Compound Synonyms | kinetin, 525-79-1, 6-Furfurylaminopurine, 6-Furfuryladenine, 6-(Furfurylamino)purine, N6-Furfuryladenine, Cytokinin, N-Furfuryladenine, N-(furan-2-ylmethyl)-9H-purin-6-amine, N-(furan-2-ylmethyl)-7H-purin-6-amine, 1H-PURIN-6-AMINE, N-(2-FURANYLMETHYL)-, N6-(Furfurylamino)purine, Adenine, N-furfuryl-, Furfuryl(purin-6-yl)amine, Cytex, Kinetin (VAN), N(sup 6)-Furfuryladenine, n(6)-furfuryladenine, Caswell No. 272D, 2-Furanmethanamine, N-1H-purin-6-yl-, N-(2-Furanylmethyl)-1H-purin-6-amine, NSC 23119, N-(2-Furylmethyl)-9H-purin-6-amine, N(sup 6)-(Furfurylamino)purine, HSDB 7429, 9H-Purin-6-amine, N-(2-furanylmethyl)-, EINECS 208-382-2, n-furfuryl-Adenine, Kinetin (6-Furfuryladenine), MFCD00075757, NSC-23119, EPA Pesticide Chemical Code 116801, UNII-P39Y9652YJ, DTXSID9035175, CHEBI:27407, P39Y9652YJ, KINETIN [HSDB], KINETIN [MI], KINETIN [MART.], KINETIN [WHO-DD], N-(2-furylmethyl)-1H-purin-6-amine, N(6)-(furfurylamino)purine, 6-[(Furan-2-ylmethyl)amino]-9H-purine, Furan-2-ylmethyl-(9H-purin-6-yl)-amine, MLS000101228, CHEMBL228792, 6046-79-3, DTXCID7015175, 6-Furfuryladenine, N6-Furfuryladenine, N-1H-purin-6-yl-2-Furanmethanamine, CAS-525-79-1, Furan-2-ylmethyl-(9H-purin-6-yl)-amin, SMR000017633, KINETIN (MART.), N-(2-furylmethyl)-N-(9H-purin-6-yl)amine, N-(furan-2-ylmethyl)-1H-purin-6-amine, 6-((Furan-2-ylmethyl)amino)-9H-purine, 6 furfurylaminopurine, SR-01000622725, Kinerase, NFurfuryladenine, 6Furfuryladenine, (2-furylmethyl)purin-6-ylamine, N6Furfuryladenine, 6 Furfuryladenine, Adenine, Nfurfuryl, H35, Prestwick_965, 6(Furfurylamino)purine, Spectrum_001064, 2uy5, Furfuryl(purin6yl)amine, N6(Furfurylamino)purine, N6FFA, KINETIN [INCI], Kinetin, 99.0%, N(sup 6)Furfuryladenine, N(Sup6)-Furfuryladenine, Maybridge1_007141, Prestwick0_000659, Prestwick1_000659, Prestwick2_000659, Prestwick3_000659, Spectrum2_001364, Spectrum3_000610, Spectrum4_000820, Spectrum5_001599, 6-furfurylamino-9H-purine, cid_3830, Oprea1_761931, SCHEMBL15705, US9138393, Kinetin, US9144538, Kinetin, BSPBio_000697, BSPBio_002120, KBioGR_001339, KBioSS_001544, 6-Purinylamine, N-furfuryl-, MLS006011916, DivK1c_000011, SPECTRUM1500764, SPBio_001288, SPBio_002618, N(sup 6)(Furfurylamino)purine, 2Furanmethanamine, N1Hpurin6yl, BPBio1_000767, N(2Furanylmethyl)1Hpurin6amine, N(Sup6)-(Furfurylamino)purine, SCHEMBL23014706, BDBM39302, CHEBI:23530, HMS500A13, HMS561M13, KBio1_000011, KBio2_001544, KBio2_004112, KBio2_006680, KBio3_001620, DTXSID30109212, NINDS_000011, 1HPurin6amine, N(2furanylmethyl), 9HPurin6amine, N(2furanylmethyl), BDBM181147, GLXC-20307, HMS1570C19, HMS1921G18, HMS2097C19, HMS2231E12, HMS3369D11, HMS3651K18, HMS3714C19, Kinetin, >=99.0% (HPLC), ALBB-020727, HY-N0160, NSC23119, TNP00302, Tox21_301214, AC2491, CCG-38842, GEO-04254, s2316, STK944589, 2-Furylmethyl-(7H-purin-6-yl)amine, AKOS000266263, AKOS008967503, AKOS025395637, N-(2-furylmethyl)-3h-purin-6-amine, AB02897, CCG-208509, CS-1567, DB11336, FF01915, KS-5279, SDCCGMLS-0066627.P001, IDI1_000011, N-(2-furanylmethyl)-7H-purin-6-amine, USEPA/OPP Pesticide Code: 116802, N-(2-furanylmethyl)-1h-purine-6 amine, NCGC00016488-01, NCGC00016488-02, NCGC00016488-03, NCGC00016488-04, NCGC00016488-05, NCGC00016488-06, NCGC00016488-07, NCGC00016488-08, NCGC00016488-09, NCGC00016488-10, NCGC00094553-01, NCGC00094553-02, NCGC00094553-03, NCGC00094553-04, NCGC00094553-05, NCGC00094553-06, NCGC00255418-01, AC-11023, Kinetin, Vetec(TM) reagent grade, 99%, N-(2-Furylmethyl)-9H-purin-6-amine #, SMR003472578, SY010745, DB-318128, furan-2-yl-methyl-(7H-purin-6-yl)-amine, N-[(furan-2-yl)methyl]-7H-purin-6-amine, AB00052172, K0009, NS00013804, SW197051-3, C08272, EN300-378089, Kinetin, plant cell culture tested, crystalline, AB00052172-13, SR-01000637138, N-[(FURAN-2-YL)METHYL]-9H-PURIN-6-AMINE, Q2251215, SR-01000622725-3, SR-01000622725-4, SR-01000637138-1, SR-01000637138-2, BRD-K65667145-001-05-8, BRD-K65667145-001-07-4, BRD-K65667145-001-14-0, Kinetin, N6-Furfuryladenine, Furfuryl(purin-6-yl)amine, F0578-0087, Z372953774, Kinetin, BioReagent, plant cell culture tested, amorphous powder, 69235-69-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 79.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCC2CCCC3CCCC32)C1 |
| Np Classifier Class | Purine alkaloids |
| Deep Smiles | ccocc5)CNcncncc6[nH]cn5 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Imidazopyrimidines |
| Description | Kinetin can react with UDP-D-glucose to produce kinetin-7-N-glucoside or kinetin-9-N-glucoside, with UDP as a byproduct. The reaction is catalyzed by UDP glycosyltransferase. Kinetin is a hormone derived from plants. [HMDB] |
| Scaffold Graph Node Level | C1COC(CNC2NCNC3NCNC32)C1 |
| Classyfire Subclass | Purines and purine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 239.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q873Y0, P29029, Q9BZP6, Q03164, Q16637, P16473, Q16665, P16050, P04637, P05177, O75496, O42275, P81908, Q9Y6L6, Q9NPD5, n.a., P27695, P08684, P0DTD1 |
| Iupac Name | N-(furan-2-ylmethyl)-7H-purin-6-amine |
| Prediction Hob | 1.0 |
| Class | Imidazopyrimidines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT93, NPT210, NPT211, NPT792, NPT539, NPT208 |
| Xlogp | 1.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Purines and purine derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H9N5O |
| Scaffold Graph Node Bond Level | c1coc(CNc2ncnc3nc[nH]c23)c1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QANMHLXAZMSUEX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1 |
| Logs | -2.424 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 1.213 |
| Synonyms | 6-(Furfurylamino)purine, 6-[(Furan-2-ylmethyl)amino]-9H-purine, 6-Furfuryladenine, 6-Furfurylaminopurine, Furan-2-ylmethyl-(9H-purin-6-yl)-amin, Furfuryl(purin-6-yl)amine, N-(2-furanylmethyl)-1H-Purin-6-amine, N-(2-furylmethyl)-1H-purin-6-amine, N-(2-Furylmethyl)-9H-purin-6-amine, N-(2-furylmethyl)-N-(9H-purin-6-yl)amine, N-1H-purin-6-yl-2-Furanmethanamine, n-furfuryl-Adenine, N-furfuryladenine, N(6)-(Furfurylamino)purine, N(6)-Furfuryladenine, N(Sup6)-(Furfurylamino)purine, N(Sup6)-Furfuryladenine, N6-(Furfurylamino)purine, N6-Furfuryladenine, N-Furfuryladenine, 6 Furfuryladenine, 6 Furfurylaminopurine, N-(2-Furanylmethyl)-1H-purin-6-amine, N-(2-Furylmethyl)-1H-purin-6-amine, N-(2-Furylmethyl)-N-(9H-purin-6-yl)amine, N-1H-Purin-6-yl-2-furanmethanamine, N-Furfuryl-adenine, N6-(furfurylamino)Purine, cytokinin, kinetin |
| Substituent Name | 6-alkylaminopurine, Aralkylamine, Secondary aliphatic/aromatic amine, Aminopyrimidine, Imidolactam, Pyrimidine, Heteroaromatic compound, Imidazole, Furan, Azole, Oxacycle, Azacycle, Secondary amine, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Aromatic heteropolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | cNC, c[nH]c, cnc, coc |
| Compound Name | Kinetin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 215.081 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 215.081 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 215.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.2601392000000002 |
| Inchi | InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) |
| Smiles | C1=COC(=C1)CNC2=NC=NC3=C2NC=N3 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 6-alkylaminopurines |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Reference:ISBN:9788172360818 - 3. Outgoing r'ship
FOUND_INto/from Zanonia Indica (Plant) Rel Props:Reference:ISBN:9789327275590 - 4. Outgoing r'ship
FOUND_INto/from Zantedeschia Aethiopica (Plant) Rel Props:Reference:ISBN:9780387706375 - 5. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Reference:ISBN:9788185042114