N(6)-(delta(2)-isopentenyl)adenine
PubChem CID: 92180
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| Compound Synonyms | 2365-40-4, Isopentenyladenine, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Isopentenyl adenine, IPADE, N6-Isopentenyladenine, Enadenine, N6-Dimethylallyladenine, Dimethylallyladenine, N-(3-methylbut-2-enyl)-7H-purin-6-amine, N6-(2-Isopentenyl)-adenine, N(6)-dimethylallyladenine, N6-(delta2-Isopentenyl)adenine, N(6)-(delta(2)-Isopentenyl)adenine, N-(3-Methyl-2-butenyl)adenine, N6-(delta2-Isopentenyl)-adenine, N6-(3-Methyl-2-butenyl)adenine, 1H-Purin-6-amine, N-(3-methyl-2-butenyl)-, 6-(, A,, A-Dimethylallylamino)purine, Adenine, N-(3-methyl-2-butenyl)-, 6-((3-Methyl-2-butenyl)amino)purine, 6-isopentenyladenine, 6-(3,3-DIMETHYLALLYLAMINO)PURINE, N-(3-Methyl-2-butenyl)-1H-purin-6-amine, N-(delta2-Isopentenyl)adenine, NSC 106958, N6-(3-Methylbut-2-enyl)adenine, N6-(delta2-Isopentenyl)aminopurine, N-(gamma,gamma-Dimethylallyl)adenine, NSC-106958, BRYOKININ, CHEBI:17660, NSC106958, N6-(2-lsopentenyl)adenine, N6-Delta2-isopentenyladenine, 2ip, N-(.DELTA.2-Isopentenyl)adenine, V500BB256Z, N(6)-(Delta2-isopentenyl)adenine, N6-(.DELTA.2-Isopentenyl)adenine, 6-[(3-Methyl-2-butenyl)amino]purine, N6-(.DELTA.2-Isopentenyl)aminopurine, 6-(3-methyl-2-buten-1-ylamino)purine, N-(.gamma.,.gamma.-Dimethylallyl)adenine, 6-(.gamma.,.gamma.-Dimethylallylamino)purine, 6-N-(3-METHYLBUT-2-ENYLAMINO)PURINE, N-(3-methylbut-2-en-1-yl)-7H-purin-6-amine, n-isopentenyladenine, (3-methyl-but-2-enyl)-(7(9)H-purin-6-yl)-amine, 9H-PURIN-6-AMINE, N-(3-METHYL-2-BUTEN-1-YL)-, i6Ade, UNII-V500BB256Z, N6-Prenyladenine, 2exm, n6isopentenyladenine, 6-(3-methyl-2-butenylamino)purine, MFCD00132998, (3-methylbut-2-enyl)purin-6-ylamine, N6(2Isopentenyl)adenine, N-(3-methylbut-2-enyl)-9H-purin-6-amine, N(3Methyl2butenyl)adenine, N(delta2Isopentenyl)adenine, N(sup 6)Isopentenyladenine, N6(3Methyl2butenyl)adenine, NCIStruc1_000935, NCIStruc2_000921, TimTec1_003281, N6(delta2Isopentenyl)adenine, Oprea1_344117, Adenine, N(3methyl2butenyl), SCHEMBL459276, 2-IP, CHEMBL476189, 6-(,-Dimethylallylamino)purine, N6(delta2Isopentenyl)aminopurine, N(3Methyl2butenyl)1Hpurin6amine, 6((3Methyl2butenyl)amino)purine, DTXSID10178325, N(gamma,gammaDimethylallyl)adenine, N-6-(3,3-Dimethylallyl)adenine, HMS1543F03, HMS3886C18, N6-(delta 2-isopentenyl) adenine, N6-.DELTA.2-Isopentenyl)adenine, 1HPurin6amine, N(3methyl2butenyl), CCG-38046, NCGC00014084, NCI106958, s5690, 6(gamma,gammaDimethylallylamino)purine, Adenine, N(3methyl2butenyl) (8CI), AKOS005257639, AKOS015914857, N-6-( Delta 2-Isopentenyl)-adenine, DB08768, FI11183, NCGC00014084-02, NCGC00097193-01, 3-methylbut-2-enyl(7H-purin-6-yl)amine, AC-15608, AC-32452, AS-17517, DA-60490, NCI60_000165, 6-[(3-methylbut-2-en-1-yl)amino]purine, N(6)-(.DELTA.2-Isopentenyl)aminopurine, 1HPurin6amine, N(3methyl2butenyl) (9CI), Adenine, N-(3-methyl-2-butenyl)-(8CI), HY-112103, N-(3-methyl-2-butenyl)-9H-purin-6-amine, CS-0043352, NS00068181, A12318, C04083, N-(3-Methyl-2-butenyl)-1H-purin-6-amine #, Q569031, BRD-K62158429-001-01-7, 6-(gamma,gamma-Dimethylallylamino)purine, BioReagent, plant cell culture tested, >=90%, 6-(gamma,gamma-Dimethylallylamino)purine, BioReagent, plant cell culture tested, >=98.5%, 6-(gamma,gamma-Dimethylallylamino)purine, BioReagent, plant cell culture tested, 1 mg/mL, 6-(gamma,gamma-Dimethylallylamino)purine, Vetec(TM) reagent grade, >=98.5% |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Purine alkaloids |
| Deep Smiles | CC=CCNcncncc6[nH]cn5))))))))))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Imidazopyrimidines |
| Description | N6-prenyladenine, also known as isopentenyladenine or ip, is a member of the class of compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. N6-prenyladenine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). N6-prenyladenine can be found in a number of food items such as lime, lemon thyme, nectarine, and napa cabbage, which makes n6-prenyladenine a potential biomarker for the consumption of these food products. |
| Scaffold Graph Node Level | C1NCC2NCNC2N1 |
| Classyfire Subclass | Purines and purine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(3-methylbut-2-enyl)-7H-purin-6-amine |
| Class | Imidazopyrimidines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Purines and purine derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H13N5 |
| Scaffold Graph Node Bond Level | c1ncc2[nH]cnc2n1 |
| Inchi Key | HYVABZIGRDEKCD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1H-Purin-6-amine, N-(3-methyl-2-butenyl)- (9CI), 6-(3-Methyl-2-butenylamino)purine, 6-(g,g-Dimethylallylamino)purine, 6-(gamma,gamma-Dimethylallylamino)purine, Adenine, N-(3-methyl-2-butenyl)- (8CI), Dimethylallyladenine, Ipade, Isopentenyl adenine, N-(3-methyl-2-butenyl)-1H-purin-6-amine, N-(3-methyl-2-butenyl)-9H-purin-6-amine, N-(3-Methyl-2-butenyl)adenine, N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine, N-(delta2-Isopentenyl)adenine, N-(gamma,gamma-dimethylallyl)adenine, N(6)-(delta(2)-isopentenyl)adenine, N(6)-dimethylallyladenine, N6-(2-Isopentenyl)adenine, N6-(3-Methyl-2-butenyl)adenine, N6-(3-Methylbut-2-enyl)adenine, N6-(delta2-Isopentenyl)-adenine, N6-(delta2-Isopentenyl)aminopurine, N6-Dimethylallyladenine, N6-Isopentenyladenine, N6-Prenyladenine, (3-Methyl-but-2-enyl)-(7(9)H-purin-6-yl)-amine, 6-(3-Methyl-2-buten-1-ylamino)purine, iP, Isopentenyladenine, N6-(delta2-Isopentenyl)adenine, N(6)-(Delta2-Isopentenyl)adenine, 6-(Γ,γ-dimethylallylamino)purine, N6-(Δ2-isopentenyl)-adenine, N6-(Δ2-isopentenyl)adenine, N(6)-(Δ2-isopentenyl)adenine, I6ade, IPADE, N(6)-(delta(2)-Isopentenyl)adenine, isopentenyl-adenine, isopentenyladenine, n6-isopentenyladenine |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, cNC, c[nH]c, cnc |
| Compound Name | N(6)-(delta(2)-isopentenyl)adenine |
| Kingdom | Organic compounds |
| Exact Mass | 203.117 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 203.117 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 203.24 |
| 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 |
| Inchi | InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) |
| Smiles | CC(=CCNC1=NC=NC2=C1NC=N2)C |
| 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 Arabidopsis Thaliana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12728344 - 2. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075 - 4. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Reference:ISBN:9788172361150 - 7. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Rumex Acetosella (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 13. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all