Cis-Zeatin
PubChem CID: 688597
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| Compound Synonyms | cis-zeatin, 32771-64-5, (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 6-[4-HYDROXY-3-METHYL-CIS-2-BUTENYLAMINO]PURINE, (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol, (Z)-4-((7H-Purin-6-yl)amino)-2-methylbut-2-en-1-ol, 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, CHEBI:46570, (2Z)-2-methyl-4-(9H-purin-6-ylamino)-2-buten-1-ol, 2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-, (2Z)-, ZEZ, Zeatin, cis, (Z)-Zeatin, 2T7X439FQK, SCHEMBL15950878, SCHEMBL25176316, cis-Zeatin, >=90% (HPLC), DTXSID201318462, MFCD00070217, AKOS025213333, FZ30330, HY-W414851, SMP2_000022, CS-0515079, 6-((Z)-4-hydroxy-3-methylbut-2-enylamino)purine, cis-6-(4-Hydroxy-3-methyl-2-butenylamino)purine, (Z)-4-(7H-purin-6-ylamino)-2-methylbut-2-en-1-ol, Q27467959, 2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-, (2Z) |
|---|---|
| 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=CCNcncncc6[nH]cn5))))))))))))/C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Imidazopyrimidines |
| Scaffold Graph Node Level | C1NCC2NCNC2N1 |
| Classyfire Subclass | Purines and purine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H13N5O |
| Scaffold Graph Node Bond Level | c1ncc2[nH]cnc2n1 |
| Inchi Key | UZKQTCBAMSWPJD-UQCOIBPSSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | cis-zeatin |
| Esol Class | Very soluble |
| Functional Groups | C/C=C(C)C, CO, cNC, c[nH]c, cnc |
| Compound Name | Cis-Zeatin |
| 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 |
| Lipinski Rule Of 5 | True |
| 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 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Reference:ISBN:9788172361150