Isoguanine
PubChem CID: 76900
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| Compound Synonyms | Isoguanine, 3373-53-3, 2-hydroxyadenine, 6-amino-3,7-dihydro-2H-purin-2-one, 2-Hydroxy-6-aminopurine, 6-amino-7H-purin-2-ol, 6-Amino-2-hydroxypurine, 6-amino-1,7-dihydropurin-2-one, 6-Amino-1,3-dihydro-2H-purin-2-one, 2-oxoadenine, Fludarabine PHosphate impurity B, 6-amino-9H-purin-2-ol, CHEBI:62462, 2-Oxyadenine, 149297-79-0, GUANOPTERIN, UNII-E335PK4428, EINECS 222-157-6, MFCD00142931, E335PK4428, NSC 241501, NSC-241501, 6-amino-3,9-dihydro-2H-purin-2-one, 2H-Purin-2-one, 6-amino-1,3-dihydro-, DTXSID00187406, 6-amino-3,7(9)-dihydro-purin-2-one, 2H-PURIN-2-ONE, 6-AMINO-3,7-DIHYDRO-, FLUDARABINE PHOSPHATE IMPURITY B [EP IMPURITY], FLUDARABINE PHOSPHATE IMPURITY, ISOGUANINE [USP IMPURITY], FLUDARABINE PHOSPHATE IMPURITY B (EP IMPURITY), isoguanin, FLUDARABINE PHOSPHATE IMPURITY, ISOGUANINE (USP IMPURITY), dihydro-2-oxoadenine, purine, 6-amino-2-hydroxy-, SCHEMBL134675, SCHEMBL432772, 2H-Purin-2-one,3-dihydro-, CHEMBL506639, SCHEMBL4748766, DTXCID70109897, DRAVOWXCEBXPTN-UHFFFAOYSA-N, 6-amino-3,9-dihydropurin-2-one, 6-amino-3,7-dihydro-purin-2-one, 6-Amino-3,9-dihydro-purin-2-one, BDBM50497031, CCG-47772, NSC241501, STL454962, 6-Amino-9H-purin-2-ol, AldrichCPR, AKOS006229677, AKOS015854519, AKOS015896923, AKOS015904753, AKOS016008986, DS-5009, SY057869, HY-124143, CS-0084463, I0370, NS00029534, C74731, 2H-Purin-2-one, 6-amino-1,3-dihydro-(9CI), EN300-2924752, Q6085780, SR-01000637365-1, 6-Amino-7H-purin-2-ol, Fludarabine Phosphate EP Impurity B, 222-157-6, IGA |
|---|---|
| Topological Polar Surface Area | 91.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Description | 2-Hydroxyadenine (2-OH-Ade) is formed by hydroxyl radical attack on DNA bases and shows a genotoxicity in human, being the source of the mutations induced by reactive oxygen species. 2-OH-Ade in DNA is miscoding and elicits various mutations, and is a mutagenic in bacterial and mammalian cells. (Recent Research Developments in Biochemistry (2000)2:41-50) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P26281 |
| Iupac Name | 6-amino-1,7-dihydropurin-2-one |
| Prediction Hob | 1.0 |
| Class | Imidazopyrimidines |
| Xlogp | -1.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Purines and purine derivatives |
| Molecular Formula | C5H5N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DRAVOWXCEBXPTN-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.78 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | -0.564 |
| Synonyms | 2-Hydroxy-6-aminopurine, 2-Hydroxyadenine, 2-Oxoadenine, 2-Oxyadenine, 6-amino-1,3-dihydro-2H-Purin-2-one, 6-Amino-2-hydroxypurine, 6-amino-3,7-dihydro-Purin-2-one, 6-amino-3,7(9)-dihydro-purin-2-one, 6-amino-3,9-dihydro-2H-Purin-2-one, 6-amino-7H-Purin-2-ol, 6-amino-9H-purin-2-ol, isoguanine, 6-Amino-1,3-dihydro-2H-purin-2-one, 6-Amino-3,7-dihydro-purin-2-one, 6-Amino-3,9-dihydro-2H-purin-2-one, 6-Amino-7H-purin-2-ol, 6-Amino-9H-purin-2-ol, 6-Amino-3,7(9)-dihydro-purin-2-one, Isoguanine, 2-OH-Ade, Crotonoside |
| Substituent Name | Purinone, 6-aminopurine, Pyrimidone, Aminopyrimidine, Pyrimidine, Primary aromatic amine, Heteroaromatic compound, Imidazole, Azole, Azacycle, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Amine, Aromatic heteropolycyclic compound |
| Compound Name | Isoguanine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.049 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.049 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 151.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -1.2123543454545456 |
| Inchi | InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) |
| Smiles | C1=NC2=NC(=O)NC(=C2N1)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 6-aminopurines |
- 1. Outgoing r'ship
FOUND_INto/from Croton Tiglium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all