cis-Zeatin riboside
PubChem CID: 13935024
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| Compound Synonyms | cis-Zeatin riboside, 15896-46-5, 9-ribosyl-cis-zeatin, Ribosylzeatin, Zeatin riboside, (2R,3R,4S,5R)-2-(6-(((Z)-4-Hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol, cis-ribosylzeatin, Ribosyl-cis-zeatin, Cis-Zeatin-riboside, N-(4-Hydroxy-3-methyl-2-butenyl)adenosine, cis-ZEATIN RIBOSIDE(cZR), SCHEMBL23898718, CHEBI:20833, CHEBI:20838, 9-beta-D-ribofuranosyl-cis-zeatin, DTXSID801017777, 28542-78-1, Q3V, XZ181120, N-(4-hydroxy-3-methylbut-2-en-1-yl)adenosine, N-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, Q27103082, cZR |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC2C(C1)CCC2C1CCCC1 |
| Np Classifier Class | Purine alkaloids |
| Deep Smiles | OC/C=CCNcncncc6ncn5[C@@H]O[C@@H][C@H][C@H]5O))O))CO)))))))))))))))))/C |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Purine nucleosides |
| Scaffold Graph Node Level | C1COC(N2CNC3CNCNC32)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol |
| Veber Rule | False |
| Classyfire Superclass | Nucleosides, nucleotides, and analogues |
| Xlogp | -0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H21N5O5 |
| Scaffold Graph Node Bond Level | c1ncc2ncn(C3CCCO3)c2n1 |
| Inchi Key | GOSWTRUMMSCNCW-BAJUWZQUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | cis-ribosylzeatin, cis-zeatin riboside, zeatin riboside,cis- |
| Esol Class | Very soluble |
| Functional Groups | C/C=C(C)C, CO, COC, cNC, cn(c)C, cnc |
| Compound Name | cis-Zeatin riboside |
| Exact Mass | 351.154 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 351.154 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 351.36 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11-,12-,15-/m1/s1 |
| Smiles | C/C(=C/CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16660533