4-Deoxypyridoxine
PubChem CID: 6094
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| Compound Synonyms | 4-Deoxypyridoxine, 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol, 61-67-6, 4-Deoxypyridoxol, Deoxypyridoxine, Desoxypyridoxine, 4-Desoxypyridoxine, 4-Deoxypyridoxal, 5-Hydroxy-4,6-dimethyl-3-pyridinemethanol, .alpha.4-Norpyridoxine, B7LKF6JMQ3, BRN 0128029, Adermine, 4-deoxy-, CHEBI:65083, 3-Pyridinemethanol, 5-hydroxy-4,6-dimethyl-, 3-PYRIDINEMETHANOL, 4,6-DIMETHYL-5-HYDROXY-, DTXSID50209849, 5-21-04-00448 (Beilstein Handbook Reference), 5-HYDROXYMETHYL-2,4-DIMETHYLPYRIDIN-3-OL, 4'-deoxypyridoxine, 5-Hydroxymethyl-2,4-dimethyl-pyridin-3-ol, alpha4-Norpyridoxine, UNII-B7LKF6JMQ3, SCHEMBL1049253, CHEMBL3244689, DTXCID50132340, AKOS006228872, SB55127, DB-100363, CS-0609504, 5-(hydroxymethyl)-2,4-dimethyl-pyridin-3-ol, 2,4-Dimethyl-3-hydroxy-5-hydroxymethylpyridin, 5-(Hydroxymethyl)-2,4-dimethyl-3-pyridinol #, pyridine, 3-hydroxy-5-hydroxymethyl-2,4-dimethyl-, Q4637123 |
|---|---|
| Topological Polar Surface Area | 53.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q91XF0 |
| Iupac Name | 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C8H11NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KKOWAYISKWGDBG-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -0.398 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.604 |
| Compound Name | 4-Deoxypyridoxine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 153.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 153.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0832585636363634 |
| Inchi | InChI=1S/C8H11NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3 |
| Smiles | CC1=C(C(=NC=C1CO)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all