Kinetin riboside
PubChem CID: 20345
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| Compound Synonyms | Kinetin riboside, 4338-47-0, 6-Furfurylaminopurine riboside, N6-Furfuryladenosine, N-(2-Furanylmethyl)adenosine, N(sup 6)-Furfuryladenosine, EINECS 224-389-3, Ribosylkinetin, BRN 0059588, MFCD00037987, CHEMBL411066, Adenosine, N-(2-furanylmethyl)-, DTXSID20874669, 4-26-00-03686 (Beilstein Handbook Reference), (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3R,4S,5R)-2-(6-((Furan-2-ylmethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, NSC 120958, N6-(2-Furanyl-methyl)adenosine, (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, N-(2-Furanylmethyl)-1H-purin-6-amine riboside, Kinetin-9-riboside, Spectrum_001277, KR (Kinetin riboside), SpecPlus_000551, Spectrum2_001453, Spectrum3_001101, Spectrum4_001930, Spectrum5_000687, 6-Furfuryladenine riboside, BSPBio_002802, KBioGR_002280, KBioSS_001757, MLS002207023, (-)-KINETIN RIBOSIDE, DivK1c_006647, SPBio_001345, SCHEMBL3190252, N6-(2-furanylmethyl)-adenosine, CHEBI:95050, KBio1_001591, KBio2_001757, KBio2_004325, KBio2_006893, KBio3_002022, DTXCID601012795, (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol, BDBM50241447, CCG-38867, AKOS024282559, CS-6377, NK06717, SDCCGMLS-0066656.P001, (2R,3R,4S,5R)-2-{6-[(furan-2-ylmethyl)amino]purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol, (3S,2R,4R,5R)-5-{6-[(2-furylmethyl)amino]purin-9-yl}-2-(hydroxymethyl)oxolane- 3,4-diol, SMP1_000170, Adenosine, N-(2-furanylmethyl)-(9CI), NCGC00017361-02, NCGC00017361-03, NCGC00017361-04, NCGC00142491-01, NCGC00142491-02, NCGC00142491-03, AS-76879, DA-74766, SMR001223878, HY-101055, F12926, SR-05000002609, SR-05000002609-1, BRD-K94325918-001-02-0, BRD-K94325918-001-05-3, Q27166818, Kinetin riboside, proapoptotic anitproliferative plant growth regulator, (2R,3R,4S,5R)-2-[6-(2-furanylmethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, 6-Furfurylaminopurine riboside, N6-Furfuryladenosine, 9-(b-D-RibofuranosyI)-6-furfuryIaminopurine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 139.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCC2CCCC3C(C4CCCC4)CCC23)C1 |
| Np Classifier Class | Purine alkaloids |
| Deep Smiles | OC[C@H]O[C@H][C@@H][C@@H]5O))O))ncncc5ncnc6NCcccco5 |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Purine nucleosides |
| Scaffold Graph Node Level | C1COC(CNC2NCNC3C2NCN3C2CCCO2)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
| Veber Rule | True |
| Classyfire Superclass | Nucleosides, nucleotides, and analogues |
| Xlogp | 0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H17N5O5 |
| Scaffold Graph Node Bond Level | c1coc(CNc2ncnc3c2ncn3C2CCCO2)c1 |
| Inchi Key | CAGLGYNQQSIUGX-SDBHATRESA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | kinetin riboside |
| Esol Class | Soluble |
| Functional Groups | CO, COC, cNC, cn(c)C, cnc, coc |
| Compound Name | Kinetin riboside |
| Exact Mass | 347.123 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 347.123 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 347.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 |
| Smiles | C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Cocos Nucifera (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16216563