Trans-Zeatin
PubChem CID: 449093
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| Compound Synonyms | trans-Zeatin, Zeatin, 1637-39-4, (E)-Zeatin, Zeatine, (E)-2-methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol, N6-(4-Hydroxyisopentenyl)adenine, 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (2E)-, 7I6OOJ9GR6, (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)-, 2-buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-, (2E)-, BRN 0616241, (E/Z)-Zeatin, 131140-27-7, CHEBI:16522, 2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-, HSDB 7689, (E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, ZEATIN [HSDB], ZEATIN [MI], (E)-2-methyl-4-(purin-6-ylamino)-2-buten-1-ol, (2E)-2-methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, CHEMBL525239, DTXSID9040631, CHEBI:15333, 2-BUTEN-1-OL, 2-METHYL-4-(PURIN-6-YLAMINO)-, (E)-, 2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, (E)-2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol, (E)-2-Methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, (2E)-2-methyl-4-[(7H-purin-6-yl)amino]but-2-en-1-ol, (E)-4-((9H-purin-6-yl)amino)-2-methylbut-2-en-1-ol, MFCD00213654, UNII-7I6OOJ9GR6, (2E)-2-methyl-4-((7H-purin-6-yl)amino)but-2-en-1-ol, t-zeatin, 2flh, ZEATIN [INCI], MTH1 inhibitor, 131, (2Z)-2-methyl-4-[(7H-purin-6-yl)amino]but-2-en-1-ol, SCHEMBL49689, MLS001074742, SCHEMBL3670336, DTXCID7020631, SCHEMBL14876945, BDBM227637, HMS2269P18, BCP13132, TNP00322, BDBM50267036, HY-19700A, s4884, AKOS015840012, AKOS015840013, AKOS015923020, AKOS037643348, CCG-266716, DB11337, FZ10034, NCGC00017372-01, NCGC00017372-02, NCGC00142544-01, AC-22388, AC-30704, AS-14879, AS-49891, HY-19700, SMR000471895, CS-0016292, CS-0147359, NS00066978, C00371, N89842, A806205, A810507, 6-(4-hydroxy-3-methylbut-trans-2-enylamino)-purine, Q2276562, BRD-K90033078-001-08-7, Q22807318, Zeatin, BioReagent, plant cell culture tested, powder, (2E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol, (2E)-2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol, 94D98F16-103C-4126-89A0-1D32FEACC220, trans-Zeatin hydrochloride, plant cell culture tested, >=97%, trans-Zeatin, BioReagent, plant cell culture tested, >=97%, 605-343-5, InChI=1/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 86.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Purine alkaloids |
| Deep Smiles | OC/C=C/CNcncncc6[nH]cn5))))))))))))/C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Imidazopyrimidines |
| Description | Zeatin is a plant hormone derived from the purine adenine. It is a member of the plant growth hormone family known as cytokinins. Zeatin was first discovered in immature corn kernels from the genus Zea. Zeatin and derivatives were discovered to be the primary active ingredient in coconut milk, which has long been known to actively induce plant growth. As in the case of kinetin, zeatin has also been reported to have several in vitro anti-aging effects on human skin fibroblasts.(from wiki) [HMDB]. cis-Zeatin is found in many foods, some of which are pepper (c. chinense), scarlet bean, okra, and red beetroot. |
| Scaffold Graph Node Level | C1NCC2NCNC2N1 |
| Classyfire Subclass | Purines and purine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9C5U0, Q9C5U1, P46063, P16473, P15917, Q03431, P27695, n.a., P0DTD1 |
| Iupac Name | (E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Imidazopyrimidines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT47, NPT210 |
| Xlogp | 0.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Purines and purine derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H13N5O |
| Scaffold Graph Node Bond Level | c1ncc2[nH]cnc2n1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UZKQTCBAMSWPJD-FARCUNLSSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.3 |
| Logs | -2.431 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 0.409 |
| Synonyms | (2Z)-2-methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol, (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, N6-(4-Hydroxyisopentenyl)adenine, (2E)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, (2E)-2-Methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, (E)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, (E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (E)-2-Methyl-4-(purin-6-ylamino)-2-buten-1-ol, (E)-Zeatin, 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (2E)-, 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)-, 2-buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-, (2E)-, 2-Buten-1-ol, 2-methyl-4-(purin-6-ylamino)-, (E)-, trans-Zeatin, Zeatin, (e)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, (e)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (e)-2-Methyl-4-(purin-6-ylamino)-2-buten-1-ol, (e)-Zeatin, (2E)-2-Methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol, 6-(4-Hydroxy-3-methyl-trans-2-butenylamino)purine, N6-(4-Hydroxy-3-methyl-trans-2-butenyl)adenine, ZT, ZTA, Zeatine, trans-6-(4-Hydroxy-3-methylbut-2-enyl)amino purine, (e)-zeatin, trans-zeatin, zeatin |
| Substituent Name | 6-alkylaminopurine, Secondary aliphatic/aromatic amine, Aminopyrimidine, Imidolactam, Pyrimidine, Heteroaromatic compound, Imidazole, Azole, Azacycle, Secondary amine, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Organonitrogen compound, Amine, Alcohol, Aromatic heteropolycyclic compound |
| Esol Class | Very soluble |
| Functional Groups | C/C=C(/C)C, CO, cNC, c[nH]c, cnc |
| Compound Name | Trans-Zeatin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 219.112 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 219.112 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 219.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.7736876000000001 |
| Inchi | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+ |
| Smiles | C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 6-alkylaminopurines |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
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