Guaiacylglycerol
PubChem CID: 14579
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Guaiacylglycerol, 1208-42-0, alpha-Guaiacylglycerol, 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol, erythro-Guaiacylglycerol, CHEBI:53663, 38916-91-5, 4-(1,2,3-trihydroxypropyl)-2-methoxyphenol, 1-(3-methoxy-4-hydroxyphenyl)-1,2,3-propanetriol, 1-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol, 3-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol, guaiacyl glycerol, erythro-1-(4-Hydroxy-3-methoxyphenyl)-1,2,3-propanetriol, SCHEMBL671224, 1,2,3-Propanetriol,1-(4-hydroxy-3-methoxyphenyl)-, CHEMBL1078124, 4-hydroxy-3-methoxyphenylglycerol, DTXSID40923562, Q27124143 |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.6 |
| Molecular Formula | C10H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LSKFUSLVUZISST-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.785 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.103 |
| Compound Name | Guaiacylglycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 214.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3118453999999999 |
| Inchi | InChI=1S/C10H14O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10-14H,5H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)C(C(CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all